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

C16H24N2O2 — CID 106482937

IUPAC2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
SMILESCC1CCCC(c2noc(CC3CCCCC3=O)n2)C1
InChIInChI=1S/C16H24N2O2/c1-11-5-4-7-13(9-11)16-17-15(20-18-16)10-12-6-2-3-8-14(12)19/h11-13H,2-10H2,1H3
InChIKeyGTVOZMSRUNQYEP-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.67
Rot. Bonds3

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

2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one (PubChem CID 106482937) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
PubChem CID106482937
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
SMILESCC1CCCC(c2noc(CC3CCCCC3=O)n2)C1
InChIInChI=1S/C16H24N2O2/c1-11-5-4-7-13(9-11)16-17-15(20-18-16)10-12-6-2-3-8-14(12)19/h11-13H,2-10H2,1H3
InChIKeyGTVOZMSRUNQYEP-UHFFFAOYSA-N
XLogP3.67
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482970
2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 107924454
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-one
CID 106482898
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201365
2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66434808
3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 55201062
4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192426
N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350541
2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482959
2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482940
3-(3-methylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 55057928
N-ethyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350316

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one (CID 106482937) is 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one is CC1CCCC(c2noc(CC3CCCCC3=O)n2)C1.
What is the InChIKey of 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one?
The InChIKey is GTVOZMSRUNQYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-5-4-7-13(9-11)16-17-15(20-18-16)10-12-6-2-3-8-14(12)19/h11-13H,2-10H2,1H3.
What are the key properties of 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one?
2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one has a molecular weight of 276.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one is sourced from PubChem (CID 106482937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).