3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one

C14H22N2O3 — CID 116780307

IUPAC3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
SMILESCCC(C(C)=O)c1nc(C2(OC)CCCCC2)no1
InChIInChI=1S/C14H22N2O3/c1-4-11(10(2)17)12-15-13(16-19-12)14(18-3)8-6-5-7-9-14/h11H,4-9H2,1-3H3
InChIKeyLPAMNKRBVRYWLX-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.96
Rot. Bonds5

About 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one

3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one (PubChem CID 116780307) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one.

Molecular Properties

Compound Name3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
PubChem CID116780307
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
SMILESCCC(C(C)=O)c1nc(C2(OC)CCCCC2)no1
InChIInChI=1S/C14H22N2O3/c1-4-11(10(2)17)12-15-13(16-19-12)14(18-3)8-6-5-7-9-14/h11H,4-9H2,1-3H3
InChIKeyLPAMNKRBVRYWLX-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

3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 116780426
ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 116704706
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116741786
3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 116780409
2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 116781227
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116701374
N-ethyl-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 104612040
2-methoxy-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109357
3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 116781210
[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 116781675
5-(1-chloroethyl)-3-(1-methoxycyclobutyl)-1,2,4-oxadiazole
CID 116701136
(1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899668

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one?
The IUPAC name of 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one (CID 116780307) is 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one.
What is the SMILES notation for 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one?
The canonical SMILES for 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one is CCC(C(C)=O)c1nc(C2(OC)CCCCC2)no1.
What is the InChIKey of 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one?
The InChIKey is LPAMNKRBVRYWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-11(10(2)17)12-15-13(16-19-12)14(18-3)8-6-5-7-9-14/h11H,4-9H2,1-3H3.
What are the key properties of 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one?
3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-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 3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one is sourced from PubChem (CID 116780307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).