3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole

C12H18N2O — CID 65389570

IUPAC3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole
SMILESC=Cc1nc(C2CCC(C)(C)CC2)no1
InChIInChI=1S/C12H18N2O/c1-4-10-13-11(14-15-10)9-5-7-12(2,3)8-6-9/h4,9H,1,5-8H2,2-3H3
InChIKeyLIBFTOUNFRRPQY-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.40
Rot. Bonds2

About 3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole

3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole (PubChem CID 65389570) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole
PubChem CID65389570
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole
SMILESC=Cc1nc(C2CCC(C)(C)CC2)no1
InChIInChI=1S/C12H18N2O/c1-4-10-13-11(14-15-10)9-5-7-12(2,3)8-6-9/h4,9H,1,5-8H2,2-3H3
InChIKeyLIBFTOUNFRRPQY-UHFFFAOYSA-N
XLogP3.40
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethenyl-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65413474
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65392070
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 65391274
(1S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899801
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65391078
1-cyclopropyl-2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 65391668
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 65390357
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292613
3-(4,4-dimethylcyclohexyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 65390962
5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82845855
5-(diethoxymethyl)-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole
CID 65390284
5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811681

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole (CID 65389570) is 3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole is C=Cc1nc(C2CCC(C)(C)CC2)no1.
What is the InChIKey of 3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole?
The InChIKey is LIBFTOUNFRRPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-10-13-11(14-15-10)9-5-7-12(2,3)8-6-9/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole?
3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole has a molecular weight of 206.29 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole is sourced from PubChem (CID 65389570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).