2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoic acid

C17H13NO3 — CID 22764945

IUPAC2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoic acid
SMILESCc1nc(-c2ccccc2C(=O)O)oc1-c1ccccc1
InChIInChI=1S/C17H13NO3/c1-11-15(12-7-3-2-4-8-12)21-16(18-11)13-9-5-6-10-14(13)17(19)20/h2-10H,1H3,(H,19,20)
InChIKeyJRPPEUFMIDBONW-UHFFFAOYSA-N
MW279.30 g/mol
LogP4.02
Rot. Bonds3

About 2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoic acid

2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoic acid (PubChem CID 22764945) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoic acid
PubChem CID22764945
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoic acid
SMILESCc1nc(-c2ccccc2C(=O)O)oc1-c1ccccc1
InChIInChI=1S/C17H13NO3/c1-11-15(12-7-3-2-4-8-12)21-16(18-11)13-9-5-6-10-14(13)17(19)20/h2-10H,1H3,(H,19,20)
InChIKeyJRPPEUFMIDBONW-UHFFFAOYSA-N
XLogP4.02
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl 2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoate
CID 54365561
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
acetylene;2-phenylbenzoic acid
CID 67726329
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 2480918
2-bromo-4-methyl-5-phenyl-1,3-oxazole
CID 105499980
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 15354514
2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 66976761
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
2-(5-bromo-1,3,4-oxadiazol-2-yl)benzoic acid
CID 83681456
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoic acid?
The IUPAC name of 2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoic acid (CID 22764945) is 2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoic acid.
What is the SMILES notation for 2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoic acid?
The canonical SMILES for 2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoic acid is Cc1nc(-c2ccccc2C(=O)O)oc1-c1ccccc1.
What is the InChIKey of 2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoic acid?
The InChIKey is JRPPEUFMIDBONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11-15(12-7-3-2-4-8-12)21-16(18-11)13-9-5-6-10-14(13)17(19)20/h2-10H,1H3,(H,19,20).
What are the key properties of 2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoic acid?
2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoic acid has a molecular weight of 279.30 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoic acid is sourced from PubChem (CID 22764945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).