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

C8H12N2O — CID 90327686

IUPAC3-cyclopentyl-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C2CCCC2)no1
InChIInChI=1S/C8H12N2O/c1-6-9-8(10-11-6)7-4-2-3-5-7/h7H,2-5H2,1H3
InChIKeyPHFYJHWPUYHIBN-UHFFFAOYSA-N
MW152.20 g/mol
LogP2.04
Rot. Bonds1

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

3-cyclopentyl-5-methyl-1,2,4-oxadiazole (PubChem CID 90327686) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-cyclopentyl-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopentyl-5-methyl-1,2,4-oxadiazole
PubChem CID90327686
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-cyclopentyl-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C2CCCC2)no1
InChIInChI=1S/C8H12N2O/c1-6-9-8(10-11-6)7-4-2-3-5-7/h7H,2-5H2,1H3
InChIKeyPHFYJHWPUYHIBN-UHFFFAOYSA-N
XLogP2.04
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole
CID 126993675
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 95817184
2-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide
CID 95821372
[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone
CID 95765308
3-cyclononyl-5-(1,1-difluoroethyl)-1,2,4-oxadiazole
CID 167237870
(3-cyclohexyl-1,2,4-oxadiazol-5-yl)hydrazine
CID 62596343
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 80601737
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 72867802

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopentyl-5-methyl-1,2,4-oxadiazole (CID 90327686) is 3-cyclopentyl-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopentyl-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopentyl-5-methyl-1,2,4-oxadiazole is Cc1nc(C2CCCC2)no1.
What is the InChIKey of 3-cyclopentyl-5-methyl-1,2,4-oxadiazole?
The InChIKey is PHFYJHWPUYHIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-9-8(10-11-6)7-4-2-3-5-7/h7H,2-5H2,1H3.
What are the key properties of 3-cyclopentyl-5-methyl-1,2,4-oxadiazole?
3-cyclopentyl-5-methyl-1,2,4-oxadiazole has a molecular weight of 152.20 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 90327686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).