1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone

C16H24N2O3 — CID 116780470

IUPAC1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCOC1(c2noc(CC(=O)C3CC3)n2)CCC(C)(C)CC1
InChIInChI=1S/C16H24N2O3/c1-15(2)6-8-16(20-3,9-7-15)14-17-13(21-18-14)10-12(19)11-4-5-11/h11H,4-10H2,1-3H3
InChIKeyWIIDJZGMRVKHIH-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.03
Rot. Bonds5

About 1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone

1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 116780470) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID116780470
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCOC1(c2noc(CC(=O)C3CC3)n2)CCC(C)(C)CC1
InChIInChI=1S/C16H24N2O3/c1-15(2)6-8-16(20-3,9-7-15)14-17-13(21-18-14)10-12(19)11-4-5-11/h11H,4-10H2,1-3H3
InChIKeyWIIDJZGMRVKHIH-UHFFFAOYSA-N
XLogP3.03
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone (CID 116780470) is 1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone is COC1(c2noc(CC(=O)C3CC3)n2)CCC(C)(C)CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is WIIDJZGMRVKHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-15(2)6-8-16(20-3,9-7-15)14-17-13(21-18-14)10-12(19)11-4-5-11/h11H,4-10H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone?
1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 292.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 116780470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).