U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H15NO4
Molecular Weight 309.316
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(4-HYDROXYPHENYL)-5-PHENYL-2-OXAZOLEPROPANOIC ACID

SMILES

OC(=O)CCC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=C(O)C=C3

InChI

InChIKey=QNYSAXQEGRPPGZ-UHFFFAOYSA-N
InChI=1S/C18H15NO4/c20-14-8-6-12(7-9-14)17-18(13-4-2-1-3-5-13)23-15(19-17)10-11-16(21)22/h1-9,20H,10-11H2,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C18H15NO4
Molecular Weight 309.316
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:00:14 UTC 2023
Edited
by admin
on Sat Dec 16 11:00:14 UTC 2023
Record UNII
PBX33B846W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(4-HYDROXYPHENYL)-5-PHENYL-2-OXAZOLEPROPANOIC ACID
Systematic Name English
DES(4-(PHENYL))-4-(4-HYDROXYPHENYL)OXAPROZIN
Common Name English
2-OXAZOLEPROPANOIC ACID, 4-(4-HYDROXYPHENYL)-5-PHENYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80218368
Created by admin on Sat Dec 16 11:00:14 UTC 2023 , Edited by admin on Sat Dec 16 11:00:14 UTC 2023
PRIMARY
FDA UNII
PBX33B846W
Created by admin on Sat Dec 16 11:00:14 UTC 2023 , Edited by admin on Sat Dec 16 11:00:14 UTC 2023
PRIMARY
CAS
68192-19-8
Created by admin on Sat Dec 16 11:00:14 UTC 2023 , Edited by admin on Sat Dec 16 11:00:14 UTC 2023
PRIMARY
PUBCHEM
3051957
Created by admin on Sat Dec 16 11:00:14 UTC 2023 , Edited by admin on Sat Dec 16 11:00:14 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE