3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole

C9H14N2O2 — CID 126987996

IUPAC3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole
SMILESCc1noc(OCC2(C)CCC2)n1
InChIInChI=1S/C9H14N2O2/c1-7-10-8(13-11-7)12-6-9(2)4-3-5-9/h3-6H2,1-2H3
InChIKeyWPQGCUOJYWTMBL-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.95
Rot. Bonds3

About 3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole

3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole (PubChem CID 126987996) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole
PubChem CID126987996
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole
SMILESCc1noc(OCC2(C)CCC2)n1
InChIInChI=1S/C9H14N2O2/c1-7-10-8(13-11-7)12-6-9(2)4-3-5-9/h3-6H2,1-2H3
InChIKeyWPQGCUOJYWTMBL-UHFFFAOYSA-N
XLogP1.95
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole (CID 126987996) is 3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole is Cc1noc(OCC2(C)CCC2)n1.
What is the InChIKey of 3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole?
The InChIKey is WPQGCUOJYWTMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-10-8(13-11-7)12-6-9(2)4-3-5-9/h3-6H2,1-2H3.
What are the key properties of 3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole?
3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole has a molecular weight of 182.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1-methylcyclobutyl)methoxy]-1,2,4-oxadiazole is sourced from PubChem (CID 126987996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).