3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid

C23H20ClFN4O6 — CID 68807474

IUPAC3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-c3nocc3C(=O)O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H20ClFN4O6/c1-34-15-9-19(29(10-15)23(33)26-14-5-3-13(24)4-6-14)21(30)27-18-7-2-12(8-17(18)25)20-16(22(31)32)11-35-28-20/h2-8,11,15,19H,9-10H2,1H3,(H,26,33)(H,27,30)(H,31,32)/t15-,19-/m1/s1
InChIKeyGGFPXUIJPQUKQD-DNVCBOLYSA-N
MW502.89 g/mol
LogP4.09
Rot. Bonds6

About 3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid

3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 68807474) has the molecular formula C23H20ClFN4O6 and a molecular weight of 502.89 g/mol. Its IUPAC name is 3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid
PubChem CID68807474
Molecular FormulaC23H20ClFN4O6
Molecular Weight502.89 g/mol
Exact Mass502.11
IUPAC Name3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-c3nocc3C(=O)O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H20ClFN4O6/c1-34-15-9-19(29(10-15)23(33)26-14-5-3-13(24)4-6-14)21(30)27-18-7-2-12(8-17(18)25)20-16(22(31)32)11-35-28-20/h2-8,11,15,19H,9-10H2,1H3,(H,26,33)(H,27,30)(H,31,32)/t15-,19-/m1/s1
InChIKeyGGFPXUIJPQUKQD-DNVCBOLYSA-N
XLogP4.09
TPSA134.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.89
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-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,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68820034
4-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]thiophene-3-carboxylic acid
CID 22181625
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 21026057
(2R,4R)-2-N-[4-(5-chloro-2-oxo-1-pyridinyl)-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 59768169
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-hydroxy-2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68808052
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 10311348
(2R,4R)-2-N-[4-(3-benzoyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68913283
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[ethyl(propan-2-yl)carbamoyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68808029
5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 68808249
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5,5-dimethyl-2-oxo-3-propan-2-ylimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68807963
2-N-[4-[2-(aminomethyl)-5-oxo-2H-pyrrol-1-yl]-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 10128319
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 69215112

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid (CID 68807474) is 3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid is CO[C@@H]1C[C@H](C(=O)Nc2ccc(-c3nocc3C(=O)O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is GGFPXUIJPQUKQD-DNVCBOLYSA-N. The full InChI is InChI=1S/C23H20ClFN4O6/c1-34-15-9-19(29(10-15)23(33)26-14-5-3-13(24)4-6-14)21(30)27-18-7-2-12(8-17(18)25)20-16(22(31)32)11-35-28-20/h2-8,11,15,19H,9-10H2,1H3,(H,26,33)(H,27,30)(H,31,32)/t15-,19-/m1/s1.
What are the key properties of 3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid?
3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 502.89 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 68807474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).