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

C16H11NO3 — CID 555391

IUPAC2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C16H11NO3/c18-16(19)13-9-5-4-8-12(13)15-17-10-14(20-15)11-6-2-1-3-7-11/h1-10H,(H,18,19)
InChIKeyHEIBWPHLFHWDAX-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.71
Rot. Bonds3

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

2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid (PubChem CID 555391) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid
PubChem CID555391
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C16H11NO3/c18-16(19)13-9-5-4-8-12(13)15-17-10-14(20-15)11-6-2-1-3-7-11/h1-10H,(H,18,19)
InChIKeyHEIBWPHLFHWDAX-UHFFFAOYSA-N
XLogP3.71
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Oxaprozin
CID 4614
1,4-Bis(5-phenyl-2-oxazolyl)benzene
CID 15732
2,5-Diphenyloxazole
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2,5-Bis(4-biphenylyl)oxazole
CID 95231
2-(1-Naphthyl)-5-phenyloxazole
CID 70058
2-[5-(4-Methylphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 7131003
2-(Biphenyl-4-yl)-5-phenyloxazole
CID 96728
Pyridine, 4-(5-phenyl-2-oxazolyl)-
CID 156519
2-(4-Chlorophenyl)-5-phenyl-1,3-oxazole
CID 259758
6-[2-(7-Phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
CID 16110715
3-[5-(4-Hydroxyphenyl)-1,3-oxazol-2-yl]phenol
CID 24857878
3-Methyl-2,5-diphenyl-1,3-oxazol-3-ium
CID 2313868

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid?
The IUPAC name of 2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid (CID 555391) is 2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid.
What is the SMILES notation for 2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid?
The canonical SMILES for 2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid is O=C(O)c1ccccc1-c1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid?
The InChIKey is HEIBWPHLFHWDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-16(19)13-9-5-4-8-12(13)15-17-10-14(20-15)11-6-2-1-3-7-11/h1-10H,(H,18,19).
What are the key properties of 2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid?
2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid has a molecular weight of 265.27 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid is sourced from PubChem (CID 555391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).