2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid

C17H11NO4 — CID 134122364

IUPAC2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H11NO4/c19-15(12-8-4-5-9-13(12)17(20)21)16-18-10-14(22-16)11-6-2-1-3-7-11/h1-10H,(H,20,21)
InChIKeySAJJKYXRRVESDF-UHFFFAOYSA-N
MW293.28 g/mol
LogP3.27
Rot. Bonds4

About 2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid

2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid (PubChem CID 134122364) has the molecular formula C17H11NO4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid
PubChem CID134122364
Molecular FormulaC17H11NO4
Molecular Weight293.28 g/mol
Exact Mass293.07
IUPAC Name2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H11NO4/c19-15(12-8-4-5-9-13(12)17(20)21)16-18-10-14(22-16)11-6-2-1-3-7-11/h1-10H,(H,20,21)
InChIKeySAJJKYXRRVESDF-UHFFFAOYSA-N
XLogP3.27
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 5-phenyl-1,3-oxazole-2-carboxylate
CID 71755872
2,2,2-trifluoro-1-(5-phenyl-1,3-oxazol-2-yl)ethanone
CID 83389105
1-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 10943870
5-(4-fluorophenyl)-1,3-oxazole-2-carboxylic acid
CID 18695170
2-methoxy-5-phenyl-1,3-oxazole
CID 69332700
5-(4-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049028
hydroxy(trimethyl)silane;phthalic acid
CID 175037657
7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one
CID 11279040
(5-phenyl-1,3-oxazol-2-yl)urea
CID 150463239
phthalic acid;silicic acid
CID 159320374
1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid
CID 119166332
N-butan-2-yl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 133150056

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid?
The IUPAC name of 2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid (CID 134122364) is 2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid.
What is the SMILES notation for 2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid?
The canonical SMILES for 2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid is O=C(O)c1ccccc1C(=O)c1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid?
The InChIKey is SAJJKYXRRVESDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO4/c19-15(12-8-4-5-9-13(12)17(20)21)16-18-10-14(22-16)11-6-2-1-3-7-11/h1-10H,(H,20,21).
What are the key properties of 2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid?
2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid has a molecular weight of 293.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid is sourced from PubChem (CID 134122364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).