5-cycloheptyl-3-(methoxymethyl)-1,2,4-oxadiazole

C11H18N2O2 — CID 71931348

IUPAC5-cycloheptyl-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(C2CCCCCC2)n1
InChIInChI=1S/C11H18N2O2/c1-14-8-10-12-11(15-13-10)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3
InChIKeyIBNJUYSADOCOQB-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.65
Rot. Bonds3

About 5-cycloheptyl-3-(methoxymethyl)-1,2,4-oxadiazole

5-cycloheptyl-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 71931348) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-cycloheptyl-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cycloheptyl-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID71931348
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-cycloheptyl-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(C2CCCCCC2)n1
InChIInChI=1S/C11H18N2O2/c1-14-8-10-12-11(15-13-10)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3
InChIKeyIBNJUYSADOCOQB-UHFFFAOYSA-N
XLogP2.65
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-cycloheptyl-3-(methoxymethyl)-1,2,4-oxadiazole (CID 71931348) is 5-cycloheptyl-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cycloheptyl-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cycloheptyl-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(C2CCCCCC2)n1.
What is the InChIKey of 5-cycloheptyl-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is IBNJUYSADOCOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-14-8-10-12-11(15-13-10)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of 5-cycloheptyl-3-(methoxymethyl)-1,2,4-oxadiazole?
5-cycloheptyl-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 210.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71931348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).