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

C10H7NO3 — CID 2776414

IUPAC4-(1,3-oxazol-5-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C10H7NO3/c12-10(13)8-3-1-7(2-4-8)9-5-11-6-14-9/h1-6H,(H,12,13)
InChIKeyMCPBXFWYUHYSIZ-UHFFFAOYSA-N
MW189.17 g/mol
LogP2.04
Rot. Bonds2

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

4-(1,3-oxazol-5-yl)benzoic acid (PubChem CID 2776414) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-(1,3-oxazol-5-yl)benzoic acid.

Molecular Properties

Compound Name4-(1,3-oxazol-5-yl)benzoic acid
PubChem CID2776414
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name4-(1,3-oxazol-5-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C10H7NO3/c12-10(13)8-3-1-7(2-4-8)9-5-11-6-14-9/h1-6H,(H,12,13)
InChIKeyMCPBXFWYUHYSIZ-UHFFFAOYSA-N
XLogP2.04
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-5-yl)benzoic acid?
The IUPAC name of 4-(1,3-oxazol-5-yl)benzoic acid (CID 2776414) is 4-(1,3-oxazol-5-yl)benzoic acid.
What is the SMILES notation for 4-(1,3-oxazol-5-yl)benzoic acid?
The canonical SMILES for 4-(1,3-oxazol-5-yl)benzoic acid is O=C(O)c1ccc(-c2cnco2)cc1.
What is the InChIKey of 4-(1,3-oxazol-5-yl)benzoic acid?
The InChIKey is MCPBXFWYUHYSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-10(13)8-3-1-7(2-4-8)9-5-11-6-14-9/h1-6H,(H,12,13).
What are the key properties of 4-(1,3-oxazol-5-yl)benzoic acid?
4-(1,3-oxazol-5-yl)benzoic acid has a molecular weight of 189.17 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-5-yl)benzoic acid is sourced from PubChem (CID 2776414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).