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

C14H12N2O4 — CID 168692194

IUPAC1-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2cccc(-c3cnco3)c2)C1
InChIInChI=1S/C14H12N2O4/c17-13-5-10(14(18)19)7-16(13)11-3-1-2-9(4-11)12-6-15-8-20-12/h1-4,6,8,10H,5,7H2,(H,18,19)
InChIKeyFVWZGLSDJIQLOS-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.78
Rot. Bonds3

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

1-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168692194) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 1-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168692194
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name1-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2cccc(-c3cnco3)c2)C1
InChIInChI=1S/C14H12N2O4/c17-13-5-10(14(18)19)7-16(13)11-3-1-2-9(4-11)12-6-15-8-20-12/h1-4,6,8,10H,5,7H2,(H,18,19)
InChIKeyFVWZGLSDJIQLOS-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

4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one
CID 168703880
1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691764
1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697831
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 166185988
1-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82513214
1-[3-(2-methylpyrimidin-4-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691246
(3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95140306
(3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 30121276
5-oxo-1-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
CID 82672144
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
1-[2-(3-bromophenyl)-1,3-benzoxazol-6-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 56772339
6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50949708

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 168692194) is 1-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2cccc(-c3cnco3)c2)C1.
What is the InChIKey of 1-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is FVWZGLSDJIQLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-13-5-10(14(18)19)7-16(13)11-3-1-2-9(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-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[3-(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-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168692194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).