3-[6-(1,2-oxazole-5-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid

C20H16N4O4 — CID 67352102

IUPAC3-[6-(1,2-oxazole-5-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccno3)cc21
InChIInChI=1S/C20H16N4O4/c25-19(26)11-16(13-4-2-1-3-5-13)24-12-21-15-7-6-14(10-17(15)24)23-20(27)18-8-9-22-28-18/h1-10,12,16H,11H2,(H,23,27)(H,25,26)
InChIKeySHWGPSVRWYZLPS-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.34
Rot. Bonds6

About 3-[6-(1,2-oxazole-5-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid

3-[6-(1,2-oxazole-5-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid (PubChem CID 67352102) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 3-[6-(1,2-oxazole-5-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[6-(1,2-oxazole-5-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid
PubChem CID67352102
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name3-[6-(1,2-oxazole-5-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccno3)cc21
InChIInChI=1S/C20H16N4O4/c25-19(26)11-16(13-4-2-1-3-5-13)24-12-21-15-7-6-14(10-17(15)24)23-20(27)18-8-9-22-28-18/h1-10,12,16H,11H2,(H,23,27)(H,25,26)
InChIKeySHWGPSVRWYZLPS-UHFFFAOYSA-N
XLogP3.34
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[6-(1,2-oxazole-5-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic 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-[6-(1,2-oxazole-5-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid?
The IUPAC name of 3-[6-(1,2-oxazole-5-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid (CID 67352102) is 3-[6-(1,2-oxazole-5-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[6-(1,2-oxazole-5-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid?
The canonical SMILES for 3-[6-(1,2-oxazole-5-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid is O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccno3)cc21.
What is the InChIKey of 3-[6-(1,2-oxazole-5-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid?
The InChIKey is SHWGPSVRWYZLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c25-19(26)11-16(13-4-2-1-3-5-13)24-12-21-15-7-6-14(10-17(15)24)23-20(27)18-8-9-22-28-18/h1-10,12,16H,11H2,(H,23,27)(H,25,26).
What are the key properties of 3-[6-(1,2-oxazole-5-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid?
3-[6-(1,2-oxazole-5-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid has a molecular weight of 376.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1,2-oxazole-5-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid is sourced from PubChem (CID 67352102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).