3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid

C16H15N3O4 — CID 117498694

IUPAC3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)n1ccn(-c2ccc(-c3cc(C(=O)O)on3)cc2)c1=O
InChIInChI=1S/C16H15N3O4/c1-10(2)18-7-8-19(16(18)22)12-5-3-11(4-6-12)13-9-14(15(20)21)23-17-13/h3-10H,1-2H3,(H,20,21)
InChIKeyMLTLDZOCKFRXAS-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.57
Rot. Bonds4

About 3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid

3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117498694) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117498694
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)n1ccn(-c2ccc(-c3cc(C(=O)O)on3)cc2)c1=O
InChIInChI=1S/C16H15N3O4/c1-10(2)18-7-8-19(16(18)22)12-5-3-11(4-6-12)13-9-14(15(20)21)23-17-13/h3-10H,1-2H3,(H,20,21)
InChIKeyMLTLDZOCKFRXAS-UHFFFAOYSA-N
XLogP2.57
TPSA90.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid (CID 117498694) is 3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid is CC(C)n1ccn(-c2ccc(-c3cc(C(=O)O)on3)cc2)c1=O.
What is the InChIKey of 3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is MLTLDZOCKFRXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10(2)18-7-8-19(16(18)22)12-5-3-11(4-6-12)13-9-14(15(20)21)23-17-13/h3-10H,1-2H3,(H,20,21).
What are the key properties of 3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 313.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117498694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).