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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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).