5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole

C10H16N2O — CID 126993675

IUPAC5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole
SMILESCc1nc(C2CCCCC2C)no1
InChIInChI=1S/C10H16N2O/c1-7-5-3-4-6-9(7)10-11-8(2)13-12-10/h7,9H,3-6H2,1-2H3
InChIKeyLLVGORDHUMJQBY-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.67
Rot. Bonds1

About 5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole

5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 126993675) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole
PubChem CID126993675
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole
SMILESCc1nc(C2CCCCC2C)no1
InChIInChI=1S/C10H16N2O/c1-7-5-3-4-6-9(7)10-11-8(2)13-12-10/h7,9H,3-6H2,1-2H3
InChIKeyLLVGORDHUMJQBY-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-5-methyl-1,2,4-oxadiazole
CID 90327686
5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole
CID 131071191
3-[3-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide
CID 119043582
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
4,6-dichloro-2-(2-methylcyclohexyl)pyrimidine
CID 130805079
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine
CID 104892127
5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole
CID 107180025
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931523
cyclobutyl-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95841655
2,6-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931580
3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915001
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 103748222

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole (CID 126993675) is 5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole is Cc1nc(C2CCCCC2C)no1.
What is the InChIKey of 5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is LLVGORDHUMJQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-5-3-4-6-9(7)10-11-8(2)13-12-10/h7,9H,3-6H2,1-2H3.
What are the key properties of 5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole?
5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 180.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 126993675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).