3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole

C17H16N4O — CID 100692250

IUPAC3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole
SMILESCc1cnc(-c2noc(C3(c4ccccc4)CCC3)n2)nc1
InChIInChI=1S/C17H16N4O/c1-12-10-18-14(19-11-12)15-20-16(22-21-15)17(8-5-9-17)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKeyZHZFSCJZPKJWSC-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.31
Rot. Bonds3

About 3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole

3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole (PubChem CID 100692250) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole
PubChem CID100692250
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole
SMILESCc1cnc(-c2noc(C3(c4ccccc4)CCC3)n2)nc1
InChIInChI=1S/C17H16N4O/c1-12-10-18-14(19-11-12)15-20-16(22-21-15)17(8-5-9-17)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKeyZHZFSCJZPKJWSC-UHFFFAOYSA-N
XLogP3.31
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-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-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole (CID 100692250) is 3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole is Cc1cnc(-c2noc(C3(c4ccccc4)CCC3)n2)nc1.
What is the InChIKey of 3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
The InChIKey is ZHZFSCJZPKJWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-10-18-14(19-11-12)15-20-16(22-21-15)17(8-5-9-17)13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3.
What are the key properties of 3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole has a molecular weight of 292.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 100692250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).