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

C10H7NO3 — CID 69180144

IUPAC4-(1,3-oxazol-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cocn2)cc1
InChIInChI=1S/C10H7NO3/c12-10(13)8-3-1-7(2-4-8)9-5-14-6-11-9/h1-6H,(H,12,13)
InChIKeyYPFJJGYOOOKVFR-UHFFFAOYSA-N
MW189.17 g/mol
LogP2.04
Rot. Bonds2

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

4-(1,3-oxazol-4-yl)benzoic acid (PubChem CID 69180144) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-(1,3-oxazol-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(1,3-oxazol-4-yl)benzoic acid
PubChem CID69180144
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name4-(1,3-oxazol-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cocn2)cc1
InChIInChI=1S/C10H7NO3/c12-10(13)8-3-1-7(2-4-8)9-5-14-6-11-9/h1-6H,(H,12,13)
InChIKeyYPFJJGYOOOKVFR-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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Related Compounds

4,4,4-trifluoro-1-[4-(1,3-oxazol-4-yl)phenyl]butane-1,3-dione
CID 22316772
2-ethyl-4-(1,3-oxazol-4-yl)benzoic acid
CID 90424812
2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid
CID 58443555
terephthalic acid
CID 160582437
3-(1,3-oxazol-4-yl)pyridine-2-carboxylic acid
CID 67182983
4-(2H-triazol-4-yl)benzoic acid
CID 58971816
4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 11637659
4-(1,3,5-triazin-2-yl)benzoic acid
CID 21314401
4-pyrimidin-2-ylbenzoic acid;hydrochloride
CID 45117414
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-4-yl)benzoic acid?
The IUPAC name of 4-(1,3-oxazol-4-yl)benzoic acid (CID 69180144) is 4-(1,3-oxazol-4-yl)benzoic acid.
What is the SMILES notation for 4-(1,3-oxazol-4-yl)benzoic acid?
The canonical SMILES for 4-(1,3-oxazol-4-yl)benzoic acid is O=C(O)c1ccc(-c2cocn2)cc1.
What is the InChIKey of 4-(1,3-oxazol-4-yl)benzoic acid?
The InChIKey is YPFJJGYOOOKVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-10(13)8-3-1-7(2-4-8)9-5-14-6-11-9/h1-6H,(H,12,13).
What are the key properties of 4-(1,3-oxazol-4-yl)benzoic acid?
4-(1,3-oxazol-4-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-4-yl)benzoic acid is sourced from PubChem (CID 69180144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).