5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid

C13H9N3O4 — CID 117430548

IUPAC5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(-n3cc[nH]c3=O)c2)on1
InChIInChI=1S/C13H9N3O4/c17-12(18)10-7-11(20-15-10)8-2-1-3-9(6-8)16-5-4-14-13(16)19/h1-7H,(H,14,19)(H,17,18)
InChIKeyJBTBFGIARLNYQC-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.52
Rot. Bonds3

About 5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid

5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 117430548) has the molecular formula C13H9N3O4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID117430548
Molecular FormulaC13H9N3O4
Molecular Weight271.23 g/mol
Exact Mass271.06
IUPAC Name5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(-n3cc[nH]c3=O)c2)on1
InChIInChI=1S/C13H9N3O4/c17-12(18)10-7-11(20-15-10)8-2-1-3-9(6-8)16-5-4-14-13(16)19/h1-7H,(H,14,19)(H,17,18)
InChIKeyJBTBFGIARLNYQC-UHFFFAOYSA-N
XLogP1.52
TPSA101.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(triazol-2-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117393454
5-[3-(2-hydroxypropan-2-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111141
3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one
CID 68687363
5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 82500452
5-[3-(2,2,2-trifluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117430489
5-[3-(thietan-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117407262
5-(3-fluoro-4-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117435249
5-phenyl-1,2-oxazole-3-carbothioic S-acid
CID 144767525
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-[4-(triazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117393453
5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117359203
5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 82387136

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid (CID 117430548) is 5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2cccc(-n3cc[nH]c3=O)c2)on1.
What is the InChIKey of 5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is JBTBFGIARLNYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4/c17-12(18)10-7-11(20-15-10)8-2-1-3-9(6-8)16-5-4-14-13(16)19/h1-7H,(H,14,19)(H,17,18).
What are the key properties of 5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid?
5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 271.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117430548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).