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

C15H13ClN2O4 — CID 119213207

IUPAC2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C15H13ClN2O4/c16-10-4-2-1-3-9(10)12-7-11(18-22-12)14(19)17-13(15(20)21)8-5-6-8/h1-4,7-8,13H,5-6H2,(H,17,19)(H,20,21)
InChIKeyIBBQOYPUTMVIQG-UHFFFAOYSA-N
MW320.73 g/mol
LogP2.59
Rot. Bonds5

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

2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid (PubChem CID 119213207) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid
PubChem CID119213207
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C15H13ClN2O4/c16-10-4-2-1-3-9(10)12-7-11(18-22-12)14(19)17-13(15(20)21)8-5-6-8/h1-4,7-8,13H,5-6H2,(H,17,19)(H,20,21)
InChIKeyIBBQOYPUTMVIQG-UHFFFAOYSA-N
XLogP2.59
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 62695945
(2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119364201
2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 119213726
5-(2-chlorophenyl)-N-[(1S)-1-piperidin-4-ylethyl]-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166248848
2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid
CID 62694940
2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 65214444
1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane
CID 178176313
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 75429233
5-(2-chlorophenyl)-N-[1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide
CID 42823042
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 1093886
2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid
CID 62697669

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid (CID 119213207) is 2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid is O=C(NC(C(=O)O)C1CC1)c1cc(-c2ccccc2Cl)on1.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid?
The InChIKey is IBBQOYPUTMVIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c16-10-4-2-1-3-9(10)12-7-11(18-22-12)14(19)17-13(15(20)21)8-5-6-8/h1-4,7-8,13H,5-6H2,(H,17,19)(H,20,21).
What are the key properties of 2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid?
2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid has a molecular weight of 320.73 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 119213207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).