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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

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

Unknown
149124
Substance Class Chemical
Created
by admin
on Wed Apr 02 09:03:09 GMT 2025
Edited
by admin
on Wed Apr 02 09:03:09 GMT 2025
Record UNII
YK98JFQ52U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-5166017
Code English
RO5166017
Preferred Name 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
(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 Wed Apr 02 09:03:09 GMT 2025 , Edited by admin on Wed Apr 02 09:03:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID801030323
Created by admin on Wed Apr 02 09:03:09 GMT 2025 , Edited by admin on Wed Apr 02 09:03:09 GMT 2025
PRIMARY
FDA UNII
YK98JFQ52U
Created by admin on Wed Apr 02 09:03:09 GMT 2025 , Edited by admin on Wed Apr 02 09:03:09 GMT 2025
PRIMARY
WIKIPEDIA
RO5166017
Created by admin on Wed Apr 02 09:03:09 GMT 2025 , Edited by admin on Wed Apr 02 09:03:09 GMT 2025
PRIMARY
CAS
1048346-74-2
Created by admin on Wed Apr 02 09:03:09 GMT 2025 , Edited by admin on Wed Apr 02 09:03:09 GMT 2025
PRIMARY
Related Record Type Details
TRACE AMINE-ASSOCIATED RECEPTOR 1
TARGET -> AGONIST
Selective agonist for the trace amine-associated receptor 1, with no significant activity at other targets.
Related Record Type Details
Structure of RO-5166017
ACTIVE MOIETY
NIH
NCATS
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