5-(cycloheptylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole

C14H18N4O — CID 71859059

IUPAC5-(cycloheptylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1cnc(-c2noc(CC3CCCCCC3)n2)cn1
InChIInChI=1S/C14H18N4O/c1-2-4-6-11(5-3-1)9-13-17-14(18-19-13)12-10-15-7-8-16-12/h7-8,10-11H,1-6,9H2
InChIKeyHMSNPDMNRSGQFV-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.04
Rot. Bonds3

About 5-(cycloheptylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole

5-(cycloheptylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 71859059) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(cycloheptylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(cycloheptylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID71859059
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-(cycloheptylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1cnc(-c2noc(CC3CCCCCC3)n2)cn1
InChIInChI=1S/C14H18N4O/c1-2-4-6-11(5-3-1)9-13-17-14(18-19-13)12-10-15-7-8-16-12/h7-8,10-11H,1-6,9H2
InChIKeyHMSNPDMNRSGQFV-UHFFFAOYSA-N
XLogP3.04
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(cycloheptylmethyl)-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-(cycloheptylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(cycloheptylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 71859059) is 5-(cycloheptylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(cycloheptylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(cycloheptylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole is c1cnc(-c2noc(CC3CCCCCC3)n2)cn1.
What is the InChIKey of 5-(cycloheptylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is HMSNPDMNRSGQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-4-6-11(5-3-1)9-13-17-14(18-19-13)12-10-15-7-8-16-12/h7-8,10-11H,1-6,9H2.
What are the key properties of 5-(cycloheptylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-(cycloheptylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 258.32 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 71859059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).