4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one

C15H22N2O2 — CID 63345383

IUPAC4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
SMILESCC1CCC(c2noc(C3CCC(=O)CC3)n2)CC1
InChIInChI=1S/C15H22N2O2/c1-10-2-4-11(5-3-10)14-16-15(19-17-14)12-6-8-13(18)9-7-12/h10-12H,2-9H2,1H3
InChIKeyKHXNFPXTTQIPHB-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.59
Rot. Bonds2

About 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one

4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one (PubChem CID 63345383) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
PubChem CID63345383
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
SMILESCC1CCC(c2noc(C3CCC(=O)CC3)n2)CC1
InChIInChI=1S/C15H22N2O2/c1-10-2-4-11(5-3-10)14-16-15(19-17-14)12-6-8-13(18)9-7-12/h10-12H,2-9H2,1H3
InChIKeyKHXNFPXTTQIPHB-UHFFFAOYSA-N
XLogP3.59
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79525079
4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one
CID 63346585
1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63345470
N-methyl-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350797
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 65129428
4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83201118
5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 71778975
bis(3-cyclopropyl-5-(1-methylpiperidin-1-ium-4-yl)-1,2,4-oxadiazole);oxalate
CID 23047505
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65391078
4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65395750
N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474441
5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(4-methylcyclohexyl)-1,2,4-oxadiazole
CID 103467010

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The IUPAC name of 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one (CID 63345383) is 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The canonical SMILES for 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one is CC1CCC(c2noc(C3CCC(=O)CC3)n2)CC1.
What is the InChIKey of 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The InChIKey is KHXNFPXTTQIPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-2-4-11(5-3-10)14-16-15(19-17-14)12-6-8-13(18)9-7-12/h10-12H,2-9H2,1H3.
What are the key properties of 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one has a molecular weight of 262.35 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one is sourced from PubChem (CID 63345383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).