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

C10H11NO — CID 11829742

IUPAC3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(c2ccccc2)C1
InChIInChI=1S/C10H11NO/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChIKeyKPHATKPOJFGEAO-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.52
Rot. Bonds1

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

3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 11829742) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID11829742
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(c2ccccc2)C1
InChIInChI=1S/C10H11NO/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChIKeyKPHATKPOJFGEAO-UHFFFAOYSA-N
XLogP2.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole 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-methyl-5-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole (CID 11829742) is 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole is CC1=NOC(c2ccccc2)C1.
What is the InChIKey of 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is KPHATKPOJFGEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3.
What are the key properties of 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole?
3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 161.20 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 11829742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).