5-cycloheptyl-3-methyl-1,2,4-oxadiazole

C10H16N2O — CID 127318365

IUPAC5-cycloheptyl-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCCCC2)n1
InChIInChI=1S/C10H16N2O/c1-8-11-10(13-12-8)9-6-4-2-3-5-7-9/h9H,2-7H2,1H3
InChIKeyKKOWVZUWHCEZKP-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.82
Rot. Bonds1

About 5-cycloheptyl-3-methyl-1,2,4-oxadiazole

5-cycloheptyl-3-methyl-1,2,4-oxadiazole (PubChem CID 127318365) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-cycloheptyl-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cycloheptyl-3-methyl-1,2,4-oxadiazole
PubChem CID127318365
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-cycloheptyl-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCCCC2)n1
InChIInChI=1S/C10H16N2O/c1-8-11-10(13-12-8)9-6-4-2-3-5-7-9/h9H,2-7H2,1H3
InChIKeyKKOWVZUWHCEZKP-UHFFFAOYSA-N
XLogP2.82
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-cycloheptyl-3-methyl-1,2,4-oxadiazole (CID 127318365) is 5-cycloheptyl-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-cycloheptyl-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-cycloheptyl-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCCCCC2)n1.
What is the InChIKey of 5-cycloheptyl-3-methyl-1,2,4-oxadiazole?
The InChIKey is KKOWVZUWHCEZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-11-10(13-12-8)9-6-4-2-3-5-7-9/h9H,2-7H2,1H3.
What are the key properties of 5-cycloheptyl-3-methyl-1,2,4-oxadiazole?
5-cycloheptyl-3-methyl-1,2,4-oxadiazole has a molecular weight of 180.25 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 127318365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).