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

C16H17ClN2O4 — CID 119364201

IUPAC(2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)on1)C(=O)O
InChIInChI=1S/C16H17ClN2O4/c1-9(2)7-13(16(21)22)18-15(20)12-8-14(23-19-12)10-5-3-4-6-11(10)17/h3-6,8-9,13H,7H2,1-2H3,(H,18,20)(H,21,22)/t13-/m1/s1
InChIKeyNXRARZFZAXDAKR-CYBMUJFWSA-N
MW336.78 g/mol
LogP3.22
Rot. Bonds6

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

(2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 119364201) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is (2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
PubChem CID119364201
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC Name(2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)on1)C(=O)O
InChIInChI=1S/C16H17ClN2O4/c1-9(2)7-13(16(21)22)18-15(20)12-8-14(23-19-12)10-5-3-4-6-11(10)17/h3-6,8-9,13H,7H2,1-2H3,(H,18,20)(H,21,22)/t13-/m1/s1
InChIKeyNXRARZFZAXDAKR-CYBMUJFWSA-N
XLogP3.22
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353357
2-[[2-carboxy-2-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]-4-methylpentanoic acid
CID 70088032
(2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 119364265
2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid
CID 119213207
5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide
CID 42823042
1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane
CID 178176313
(2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid
CID 119363334
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
5-(2-chlorophenyl)-N-[(1S)-1-piperidin-4-ylethyl]-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166248848
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110313232

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid (CID 119364201) is (2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)on1)C(=O)O.
What is the InChIKey of (2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is NXRARZFZAXDAKR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-9(2)7-13(16(21)22)18-15(20)12-8-14(23-19-12)10-5-3-4-6-11(10)17/h3-6,8-9,13H,7H2,1-2H3,(H,18,20)(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
(2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 336.78 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119364201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).