4-(1,2-oxazol-4-ylamino)benzoic acid

C10H8N2O3 — CID 115023257

IUPAC4-(1,2-oxazol-4-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2cnoc2)cc1
InChIInChI=1S/C10H8N2O3/c13-10(14)7-1-3-8(4-2-7)12-9-5-11-15-6-9/h1-6,12H,(H,13,14)
InChIKeyJGHDPGPHDNGBNH-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.12
Rot. Bonds3

About 4-(1,2-oxazol-4-ylamino)benzoic acid

4-(1,2-oxazol-4-ylamino)benzoic acid (PubChem CID 115023257) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-(1,2-oxazol-4-ylamino)benzoic acid.

Molecular Properties

Compound Name4-(1,2-oxazol-4-ylamino)benzoic acid
PubChem CID115023257
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name4-(1,2-oxazol-4-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2cnoc2)cc1
InChIInChI=1S/C10H8N2O3/c13-10(14)7-1-3-8(4-2-7)12-9-5-11-15-6-9/h1-6,12H,(H,13,14)
InChIKeyJGHDPGPHDNGBNH-UHFFFAOYSA-N
XLogP2.12
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyridin-3-ylamino)benzoic acid
CID 62231528
4-(4-acetamidoanilino)benzoic acid
CID 11425691
4-(3-bromo-4-cyanoanilino)benzoic acid
CID 107275336
4-[4-(carboxymethyl)anilino]benzoic acid
CID 82535929
4-(1,3,5-triazin-2-ylamino)benzoic acid
CID 54070547
N-(1,2-oxazol-4-yl)pyridine-4-carboxamide
CID 71797676
4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid
CID 110452968
4-(3,4-dimethylanilino)benzoic acid
CID 62230347
terephthalic acid
CID 160582437
4-[(1-propan-2-ylpyrazol-4-yl)amino]benzoic acid
CID 62902330
6-(1,2-oxazol-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 62915437
4-[[(1R)-1-carboxyethyl]amino]benzoic acid
CID 45089845

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-4-ylamino)benzoic acid?
The IUPAC name of 4-(1,2-oxazol-4-ylamino)benzoic acid (CID 115023257) is 4-(1,2-oxazol-4-ylamino)benzoic acid.
What is the SMILES notation for 4-(1,2-oxazol-4-ylamino)benzoic acid?
The canonical SMILES for 4-(1,2-oxazol-4-ylamino)benzoic acid is O=C(O)c1ccc(Nc2cnoc2)cc1.
What is the InChIKey of 4-(1,2-oxazol-4-ylamino)benzoic acid?
The InChIKey is JGHDPGPHDNGBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-10(14)7-1-3-8(4-2-7)12-9-5-11-15-6-9/h1-6,12H,(H,13,14).
What are the key properties of 4-(1,2-oxazol-4-ylamino)benzoic acid?
4-(1,2-oxazol-4-ylamino)benzoic acid has a molecular weight of 204.19 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-4-ylamino)benzoic acid is sourced from PubChem (CID 115023257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).