3-phenyl-5-propan-2-yl-1,2,4-oxadiazole

C11H12N2O — CID 12710734

IUPAC3-phenyl-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C11H12N2O/c1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyLJQVRBYODUPFNI-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.86
Rot. Bonds2

About 3-phenyl-5-propan-2-yl-1,2,4-oxadiazole

3-phenyl-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 12710734) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-phenyl-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID12710734
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-phenyl-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C11H12N2O/c1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyLJQVRBYODUPFNI-UHFFFAOYSA-N
XLogP2.86
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-5-propan-2-yl-1,2,4-oxadiazole 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-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-propan-2-yl-1,2,4-oxadiazole (CID 12710734) is 3-phenyl-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is LJQVRBYODUPFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 3-phenyl-5-propan-2-yl-1,2,4-oxadiazole?
3-phenyl-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 188.23 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 12710734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).