2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid

C12H10ClNO3 — CID 135334733

IUPAC2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid
SMILESCC(C(=O)O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C12H10ClNO3/c1-7(12(15)16)10-6-11(17-14-10)8-2-4-9(13)5-3-8/h2-7H,1H3,(H,15,16)
InChIKeyDRIABKOMPJLWHP-UHFFFAOYSA-N
MW251.67 g/mol
LogP3.18
Rot. Bonds3

About 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid (PubChem CID 135334733) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid
PubChem CID135334733
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid
SMILESCC(C(=O)O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C12H10ClNO3/c1-7(12(15)16)10-6-11(17-14-10)8-2-4-9(13)5-3-8/h2-7H,1H3,(H,15,16)
InChIKeyDRIABKOMPJLWHP-UHFFFAOYSA-N
XLogP3.18
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(p-Chlorophenyl)-5-phenylisoxazole
CID 279128
3-(Chloromethyl)-5-phenyl-1,2-oxazole
CID 1484769
3-(4-Chlorophenyl)-5-{[(cyclopropylcarbonyl)oxy]ethanimidoyl}isoxazole
CID 6346448
3-(4-Chlorophenyl)-5-{[(3-methylbutanoyl)oxy]ethanimidoyl}isoxazole
CID 6385992
5-(4-Chloro-phenyl)-3-methyl-isoxazole-4-carboxylic acid methyl ester
CID 2744000
3,5-Bis(4-chlorophenyl)-1,2-oxazole
CID 4190932
1,2-Benzisoxazole-6-acetic acid, 3-(p-chlorophenyl)-alpha-methyl-
CID 3043970
5-(2-Chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1090977
5-(4-Chlorophenyl)isoxazole-3-carboxylic acid
CID 1133644
3-(4-Chlorophenyl)-5-isoxazolecarboxylic acid
CID 2763372
2-(5-Phenyl-1,2-oxazol-3-yl)acetic acid
CID 23423467
[5-(4-Chlorophenyl)-1,2-oxazol-3-yl]methanol
CID 3613526

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid (CID 135334733) is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid is CC(C(=O)O)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid?
The InChIKey is DRIABKOMPJLWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-7(12(15)16)10-6-11(17-14-10)8-2-4-9(13)5-3-8/h2-7H,1H3,(H,15,16).
What are the key properties of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid?
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid has a molecular weight of 251.67 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid is sourced from PubChem (CID 135334733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).