1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

C14H12N2O4 — CID 168691764

IUPAC1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(-c3cnco3)cc2)C1
InChIInChI=1S/C14H12N2O4/c17-13-5-10(14(18)19)7-16(13)11-3-1-9(2-4-11)12-6-15-8-20-12/h1-4,6,8,10H,5,7H2,(H,18,19)
InChIKeyOHNXLBYQUVZAAS-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.78
Rot. Bonds3

About 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168691764) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168691764
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(-c3cnco3)cc2)C1
InChIInChI=1S/C14H12N2O4/c17-13-5-10(14(18)19)7-16(13)11-3-1-9(2-4-11)12-6-15-8-20-12/h1-4,6,8,10H,5,7H2,(H,18,19)
InChIKeyOHNXLBYQUVZAAS-UHFFFAOYSA-N
XLogP1.78
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697831
1-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168692194
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one
CID 168703880
5-oxo-1-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
CID 82672144
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid
CID 168691777
1-[4-(2-chlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 166398727
1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4914567
1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 139000493
(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7144527
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-carbonyl chloride
CID 50873745
(3S)-5-oxo-1-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 51893801

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 168691764) is 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc(-c3cnco3)cc2)C1.
What is the InChIKey of 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is OHNXLBYQUVZAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-13-5-10(14(18)19)7-16(13)11-3-1-9(2-4-11)12-6-15-8-20-12/h1-4,6,8,10H,5,7H2,(H,18,19).
What are the key properties of 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).