2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoic acid

C17H13NO3 — CID 7131003

IUPAC2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoic acid
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)O)o2)cc1
InChIInChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)15-10-18-16(21-15)13-4-2-3-5-14(13)17(19)20/h2-10H,1H3,(H,19,20)
InChIKeyQHDXXCCWUXBCLN-UHFFFAOYSA-N
MW279.30 g/mol
LogP4.02
Rot. Bonds3

About 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoic acid

2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoic acid (PubChem CID 7131003) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoic acid
PubChem CID7131003
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoic acid
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)O)o2)cc1
InChIInChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)15-10-18-16(21-15)13-4-2-3-5-14(13)17(19)20/h2-10H,1H3,(H,19,20)
InChIKeyQHDXXCCWUXBCLN-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-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoic acid?
The IUPAC name of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoic acid (CID 7131003) is 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoic acid.
What is the SMILES notation for 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoic acid?
The canonical SMILES for 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoic acid is Cc1ccc(-c2cnc(-c3ccccc3C(=O)O)o2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoic acid?
The InChIKey is QHDXXCCWUXBCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)15-10-18-16(21-15)13-4-2-3-5-14(13)17(19)20/h2-10H,1H3,(H,19,20).
What are the key properties of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoic acid?
2-[5-(4-methylphenyl)-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-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoic acid is sourced from PubChem (CID 7131003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).