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

C14H22N2O2 — CID 63561054

IUPAC2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
SMILESCCC(=O)C(C)c1nc(C2CCC(C)CC2)no1
InChIInChI=1S/C14H22N2O2/c1-4-12(17)10(3)14-15-13(16-18-14)11-7-5-9(2)6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyTVUFQVCXHSKJFU-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.45
Rot. Bonds4

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

2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one (PubChem CID 63561054) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one.

Molecular Properties

Compound Name2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
PubChem CID63561054
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
SMILESCCC(=O)C(C)c1nc(C2CCC(C)CC2)no1
InChIInChI=1S/C14H22N2O2/c1-4-12(17)10(3)14-15-13(16-18-14)11-7-5-9(2)6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyTVUFQVCXHSKJFU-UHFFFAOYSA-N
XLogP3.45
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 80610154
2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 65412634
(1S)-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263723
ethyl 3-methyl-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79481673
4-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63345426
2-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 65406251
1,1,1-trifluoro-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65414462
1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63345470
3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 65390542
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 79088934
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 63718735
3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 94383023

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one?
The IUPAC name of 2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one (CID 63561054) is 2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one.
What is the SMILES notation for 2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one?
The canonical SMILES for 2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one is CCC(=O)C(C)c1nc(C2CCC(C)CC2)no1.
What is the InChIKey of 2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one?
The InChIKey is TVUFQVCXHSKJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-12(17)10(3)14-15-13(16-18-14)11-7-5-9(2)6-8-11/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one?
2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one has a molecular weight of 250.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one is sourced from PubChem (CID 63561054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).