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

C14H22N2O3 — CID 116780269

IUPAC4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
SMILESCCC(CC)(OC)c1noc(C2CCC(=O)CC2)n1
InChIInChI=1S/C14H22N2O3/c1-4-14(5-2,18-3)13-15-12(19-16-13)10-6-8-11(17)9-7-10/h10H,4-9H2,1-3H3
InChIKeyKGRZCMKKUFFEEG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.96
Rot. Bonds5

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

4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one (PubChem CID 116780269) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
PubChem CID116780269
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
SMILESCCC(CC)(OC)c1noc(C2CCC(=O)CC2)n1
InChIInChI=1S/C14H22N2O3/c1-4-14(5-2,18-3)13-15-12(19-16-13)10-6-8-11(17)9-7-10/h10H,4-9H2,1-3H3
InChIKeyKGRZCMKKUFFEEG-UHFFFAOYSA-N
XLogP2.96
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 116780274
3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 116741192
2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 116781114
4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one
CID 63346585
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 106815656
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 65129428
4-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 116780982
cis-(1S,3R)-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323602
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 116780291
[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116741094
4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 103150917
3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine
CID 65021193

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The IUPAC name of 4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one (CID 116780269) is 4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The canonical SMILES for 4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one is CCC(CC)(OC)c1noc(C2CCC(=O)CC2)n1.
What is the InChIKey of 4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The InChIKey is KGRZCMKKUFFEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-14(5-2,18-3)13-15-12(19-16-13)10-6-8-11(17)9-7-10/h10H,4-9H2,1-3H3.
What are the key properties of 4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one has a molecular weight of 266.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one is sourced from PubChem (CID 116780269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).