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

C11H16N2O2 — CID 63345470

IUPAC1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCC(=O)c1nc(C2CCC(C)CC2)no1
InChIInChI=1S/C11H16N2O2/c1-7-3-5-9(6-4-7)10-12-11(8(2)14)15-13-10/h7,9H,3-6H2,1-2H3
InChIKeyPQWOATFXSJJYJH-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.57
Rot. Bonds2

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

1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 63345470) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID63345470
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCC(=O)c1nc(C2CCC(C)CC2)no1
InChIInChI=1S/C11H16N2O2/c1-7-3-5-9(6-4-7)10-12-11(8(2)14)15-13-10/h7,9H,3-6H2,1-2H3
InChIKeyPQWOATFXSJJYJH-UHFFFAOYSA-N
XLogP2.57
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63345426
2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 63561054
1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 115080085
(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
3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081706
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 63345383
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483412
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 71864581
3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide
CID 139019188
N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
CID 155953439

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone (CID 63345470) is 1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone is CC(=O)c1nc(C2CCC(C)CC2)no1.
What is the InChIKey of 1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is PQWOATFXSJJYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-3-5-9(6-4-7)10-12-11(8(2)14)15-13-10/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone?
1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 208.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 63345470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).