2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid

C16H15ClN2O4 — CID 120519348

IUPAC2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cc(-c2cccc(Cl)c2)on1)C1CC1
InChIInChI=1S/C16H15ClN2O4/c1-9(16(21)22)19(12-5-6-12)15(20)13-8-14(23-18-13)10-3-2-4-11(17)7-10/h2-4,7-9,12H,5-6H2,1H3,(H,21,22)
InChIKeyDPUZGTIKMODBBQ-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.07
Rot. Bonds5

About 2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid

2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid (PubChem CID 120519348) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid
PubChem CID120519348
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cc(-c2cccc(Cl)c2)on1)C1CC1
InChIInChI=1S/C16H15ClN2O4/c1-9(16(21)22)19(12-5-6-12)15(20)13-8-14(23-18-13)10-3-2-4-11(17)7-10/h2-4,7-9,12H,5-6H2,1H3,(H,21,22)
InChIKeyDPUZGTIKMODBBQ-UHFFFAOYSA-N
XLogP3.07
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 119202136
5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 55978226
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119532812
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119532811
(1S)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanol;1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanone
CID 158318961
5-(3-chlorophenyl)-N-[2-(methylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120826944
(2S)-1-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366011
5-(3-chlorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 78862555
N,N-dicyclohexyl-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 57339499
5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 120574779
2-[cyclopropyl-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119203311
5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120652870

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid?
The IUPAC name of 2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid (CID 120519348) is 2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid is CC(C(=O)O)N(C(=O)c1cc(-c2cccc(Cl)c2)on1)C1CC1.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid?
The InChIKey is DPUZGTIKMODBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-9(16(21)22)19(12-5-6-12)15(20)13-8-14(23-18-13)10-3-2-4-11(17)7-10/h2-4,7-9,12H,5-6H2,1H3,(H,21,22).
What are the key properties of 2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid?
2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid has a molecular weight of 334.76 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid is sourced from PubChem (CID 120519348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).