4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic acid

C20H16Cl2N2O5 — CID 71479321

IUPAC4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic acid
SMILESO=C(NC(Cc1ccccc1Cl)C(O)C(=O)O)c1cc(-c2ccccc2Cl)no1
InChIInChI=1S/C20H16Cl2N2O5/c21-13-7-3-1-5-11(13)9-16(18(25)20(27)28)23-19(26)17-10-15(24-29-17)12-6-2-4-8-14(12)22/h1-8,10,16,18,25H,9H2,(H,23,26)(H,27,28)
InChIKeyQCAOAWQXQQNWKK-UHFFFAOYSA-N
MW435.26 g/mol
LogP3.43
Rot. Bonds7

About 4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic acid

4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic acid (PubChem CID 71479321) has the molecular formula C20H16Cl2N2O5 and a molecular weight of 435.26 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic acid
PubChem CID71479321
Molecular FormulaC20H16Cl2N2O5
Molecular Weight435.26 g/mol
Exact Mass434.04
IUPAC Name4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic acid
SMILESO=C(NC(Cc1ccccc1Cl)C(O)C(=O)O)c1cc(-c2ccccc2Cl)no1
InChIInChI=1S/C20H16Cl2N2O5/c21-13-7-3-1-5-11(13)9-16(18(25)20(27)28)23-19(26)17-10-15(24-29-17)12-6-2-4-8-14(12)22/h1-8,10,16,18,25H,9H2,(H,23,26)(H,27,28)
InChIKeyQCAOAWQXQQNWKK-UHFFFAOYSA-N
XLogP3.43
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.26
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic 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

4-(2-chlorophenyl)-2-hydroxy-3-[(2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 71479323
2-[[3-[[(1R,2R)-1-carboxy-3-(2-chlorophenyl)-1-hydroxypropan-2-yl]carbamoyl]-5-chlorophenyl]methyl]pyrazole-3-carboxylic acid
CID 141351373
3-[[(1R,2R)-1-carboxy-3-(2-chlorophenyl)-1-hydroxypropan-2-yl]carbamoyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxylic acid
CID 71074043
2-[2-[[(2R,3R)-1-(2-chlorophenyl)-4-ethoxy-3-hydroxy-4-oxobutan-2-yl]carbamoyl]-4-pyridinyl]benzoic acid
CID 71075089
N-butan-2-yl-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide
CID 135506185
3-(2-chlorophenyl)-N-(4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 162333534
2-[4-[[1-carboxy-3-(2-chlorophenyl)-1-hydroxypropan-2-yl]amino]-4-oxobutyl]-4-fluorobenzoic acid
CID 71078610
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
(2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 71073925
(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61137160
2-[3-[[(1R,2R)-1-carboxy-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]phenyl]benzoic acid
CID 71073546
N-[(2S)-4-amino-1-(3,5-dichlorophenyl)-3-hydroxy-4-oxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 134397844

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic acid (CID 71479321) is 4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic acid is O=C(NC(Cc1ccccc1Cl)C(O)C(=O)O)c1cc(-c2ccccc2Cl)no1.
What is the InChIKey of 4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic acid?
The InChIKey is QCAOAWQXQQNWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O5/c21-13-7-3-1-5-11(13)9-16(18(25)20(27)28)23-19(26)17-10-15(24-29-17)12-6-2-4-8-14(12)22/h1-8,10,16,18,25H,9H2,(H,23,26)(H,27,28).
What are the key properties of 4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic acid?
4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic acid has a molecular weight of 435.26 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 71479321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).