1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid

C15H12F2N2O4 — CID 122108866

IUPAC1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1coc(-c2c(F)cccc2F)n1
InChIInChI=1S/C15H12F2N2O4/c16-8-3-1-4-9(17)12(8)13-18-10(7-23-13)14(20)19-6-2-5-11(19)15(21)22/h1,3-4,7,11H,2,5-6H2,(H,21,22)
InChIKeyKLGYHHCDMOQCOD-UHFFFAOYSA-N
MW322.27 g/mol
LogP2.31
Rot. Bonds3

About 1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid

1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 122108866) has the molecular formula C15H12F2N2O4 and a molecular weight of 322.27 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID122108866
Molecular FormulaC15H12F2N2O4
Molecular Weight322.27 g/mol
Exact Mass322.08
IUPAC Name1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1coc(-c2c(F)cccc2F)n1
InChIInChI=1S/C15H12F2N2O4/c16-8-3-1-4-9(17)12(8)13-18-10(7-23-13)14(20)19-6-2-5-11(19)15(21)22/h1,3-4,7,11H,2,5-6H2,(H,21,22)
InChIKeyKLGYHHCDMOQCOD-UHFFFAOYSA-N
XLogP2.31
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370414
1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 122108920
(2S)-1-(2-bromo-6-fluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 104939537
(2R)-1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119370659
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 167911729
1-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355489
(2S)-1-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136212
1-(6-chloropyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62241098
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(2,6-difluorophenyl)-2-pyridinyl]methanone
CID 58210834
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid (CID 122108866) is 1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1coc(-c2c(F)cccc2F)n1.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KLGYHHCDMOQCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O4/c16-8-3-1-4-9(17)12(8)13-18-10(7-23-13)14(20)19-6-2-5-11(19)15(21)22/h1,3-4,7,11H,2,5-6H2,(H,21,22).
What are the key properties of 1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid?
1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 322.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122108866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).