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

C14H13ClN2O4 — CID 107314790

IUPAC(2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
SMILESCc1noc(C)c1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H13ClN2O4/c1-7-11(8(2)21-17-7)13(18)16-12(14(19)20)9-5-3-4-6-10(9)15/h3-6,12H,1-2H3,(H,16,18)(H,19,20)/t12-/m1/s1
InChIKeyRCZSKICUKMEZPH-GFCCVEGCSA-N
MW308.72 g/mol
LogP2.50
Rot. Bonds4

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

(2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid (PubChem CID 107314790) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
PubChem CID107314790
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
SMILESCc1noc(C)c1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H13ClN2O4/c1-7-11(8(2)21-17-7)13(18)16-12(14(19)20)9-5-3-4-6-10(9)15/h3-6,12H,1-2H3,(H,16,18)(H,19,20)/t12-/m1/s1
InChIKeyRCZSKICUKMEZPH-GFCCVEGCSA-N
XLogP2.50
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid
CID 28778678
3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 75461414
3,5-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 18082542
(2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
CID 107314250
(2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid
CID 107314767
3-chloro-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 107047411
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 95571005
(2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
CID 107314362
3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-carboxamide
CID 75462133
1-[1-(2-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 56825450
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid (CID 107314790) is (2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid is Cc1noc(C)c1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid?
The InChIKey is RCZSKICUKMEZPH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-7-11(8(2)21-17-7)13(18)16-12(14(19)20)9-5-3-4-6-10(9)15/h3-6,12H,1-2H3,(H,16,18)(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid has a molecular weight of 308.72 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 107314790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).