3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C10H10N2O2 — CID 589608

IUPAC3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESNC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H10N2O2/c11-10(13)9-6-8(12-14-9)7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,11,13)
InChIKeyVPYZWWRTQYPRGL-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.66
Rot. Bonds2

About 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 589608) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID589608
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESNC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C10H10N2O2/c11-10(13)9-6-8(12-14-9)7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,11,13)
InChIKeyVPYZWWRTQYPRGL-UHFFFAOYSA-N
XLogP0.66
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide 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-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 589608) is 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is NC(=O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is VPYZWWRTQYPRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-10(13)9-6-8(12-14-9)7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,11,13).
What are the key properties of 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 190.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 589608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).