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

C15H24N2O2 — CID 114282134

IUPAC2-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
SMILESCC(C)C(c1noc(C2CCCCC2=O)n1)C(C)C
InChIInChI=1S/C15H24N2O2/c1-9(2)13(10(3)4)14-16-15(19-17-14)11-7-5-6-8-12(11)18/h9-11,13H,5-8H2,1-4H3
InChIKeyDRKWNGOSKFCDGR-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.69
Rot. Bonds4

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

2-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one (PubChem CID 114282134) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
PubChem CID114282134
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
SMILESCC(C)C(c1noc(C2CCCCC2=O)n1)C(C)C
InChIInChI=1S/C15H24N2O2/c1-9(2)13(10(3)4)14-16-15(19-17-14)11-7-5-6-8-12(11)18/h9-11,13H,5-8H2,1-4H3
InChIKeyDRKWNGOSKFCDGR-UHFFFAOYSA-N
XLogP3.69
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 116732527
2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 116808740
2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 104611970
2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one
CID 63344281
2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 65141405
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 116780395
2-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 113299892
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 116732734
2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 63344321
2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 116780274
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 116732745
2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 80639037

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The IUPAC name of 2-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one (CID 114282134) is 2-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The canonical SMILES for 2-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one is CC(C)C(c1noc(C2CCCCC2=O)n1)C(C)C.
What is the InChIKey of 2-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The InChIKey is DRKWNGOSKFCDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-9(2)13(10(3)4)14-16-15(19-17-14)11-7-5-6-8-12(11)18/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 2-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
2-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one has a molecular weight of 264.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one is sourced from PubChem (CID 114282134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).