RO-5166017

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H17N3O
Molecular Weight	219.2829
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RO-5166017

Structure Search

SMILES

CCN(C[C@H]1COC(N)=N1)C2=CC=CC=C2

InChI

InChIKey=PPONHQQJLWPUPH-JTQLQIEISA-N

InChI=1S/C12H17N3O/c1-2-15(11-6-4-3-5-7-11)8-10-9-16-12(13)14-10/h3-7,10H,2,8-9H2,1H3,(H2,13,14)/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C12H17N3O
Molecular Weight	219.2829
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:23:04 GMT 2023` Edited by `admin` on `Sat Dec 16 17:23:04 GMT 2023`
Record UNII	YK98JFQ52U
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

RO-5166017

Code

English

4-OXAZOLEMETHANAMINE, 2-AMINO-N-ETHYL-4,5-DIHYDRO-N-PHENYL-, (4S)-

Systematic Name

English

(S)-4-((ETHYL-PHENYL-AMINO)-METHYL)-4,5-DIHYDRO-OXAZOL-2-YLAMINE

Systematic Name

English

(4S)-2-AMINO-N-ETHYL-4,5-DIHYDRO-N-PHENYL-4-OXAZOLEMETHANAMINE

Systematic Name

English

RO5166017

Code

English

(4S)-4-((N-ETHYLANILINO)METHYL)-4,5-DIHYDRO-1,3-OXAZOL-2-AMINE

Systematic Name

English

Code System Code Type Description

PUBCHEM

25016538

Created by admin on Sat Dec 16 17:23:04 GMT 2023 , Edited by admin on Sat Dec 16 17:23:04 GMT 2023

PRIMARY

EPA CompTox

DTXSID801030323

Created by admin on Sat Dec 16 17:23:04 GMT 2023 , Edited by admin on Sat Dec 16 17:23:04 GMT 2023

PRIMARY

FDA UNII

YK98JFQ52U

Created by admin on Sat Dec 16 17:23:04 GMT 2023 , Edited by admin on Sat Dec 16 17:23:04 GMT 2023

PRIMARY

WIKIPEDIA

RO5166017

Created by admin on Sat Dec 16 17:23:04 GMT 2023 , Edited by admin on Sat Dec 16 17:23:04 GMT 2023

PRIMARY

CAS

1048346-74-2

Created by admin on Sat Dec 16 17:23:04 GMT 2023 , Edited by admin on Sat Dec 16 17:23:04 GMT 2023

PRIMARY

Related Record Type Details


					XMC8VP6RI2

TRACE AMINE-ASSOCIATED RECEPTOR 1

TARGET -> AGONIST

Comments:

Selective agonist for the trace amine-associated receptor 1, with no significant activity at other targets.

Amount:

Related Record Type Details


					YK98JFQ52U

ACTIVE MOIETY

Amount: