5-cycloheptyl-3-pyrazin-2-yl-1,2,4-oxadiazole

C13H16N4O — CID 71974112

IUPAC5-cycloheptyl-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1cnc(-c2noc(C3CCCCCC3)n2)cn1
InChIInChI=1S/C13H16N4O/c1-2-4-6-10(5-3-1)13-16-12(17-18-13)11-9-14-7-8-15-11/h7-10H,1-6H2
InChIKeyLUSSFJXEXSDZRJ-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.96
Rot. Bonds2

About 5-cycloheptyl-3-pyrazin-2-yl-1,2,4-oxadiazole

5-cycloheptyl-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 71974112) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-cycloheptyl-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cycloheptyl-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID71974112
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-cycloheptyl-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1cnc(-c2noc(C3CCCCCC3)n2)cn1
InChIInChI=1S/C13H16N4O/c1-2-4-6-10(5-3-1)13-16-12(17-18-13)11-9-14-7-8-15-11/h7-10H,1-6H2
InChIKeyLUSSFJXEXSDZRJ-UHFFFAOYSA-N
XLogP2.96
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-cycloheptyl-3-pyrazin-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 5-cycloheptyl-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-cycloheptyl-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 71974112) is 5-cycloheptyl-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-cycloheptyl-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-cycloheptyl-3-pyrazin-2-yl-1,2,4-oxadiazole is c1cnc(-c2noc(C3CCCCCC3)n2)cn1.
What is the InChIKey of 5-cycloheptyl-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is LUSSFJXEXSDZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-4-6-10(5-3-1)13-16-12(17-18-13)11-9-14-7-8-15-11/h7-10H,1-6H2.
What are the key properties of 5-cycloheptyl-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-cycloheptyl-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 244.30 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 71974112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).