1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine

C15H27N3O2 — CID 116742706

IUPAC1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
SMILESCOC1(c2noc(CC(N)C(C)C)n2)CCCC(C)C1
InChIInChI=1S/C15H27N3O2/c1-10(2)12(16)8-13-17-14(18-20-13)15(19-4)7-5-6-11(3)9-15/h10-12H,5-9,16H2,1-4H3
InChIKeyAFNVTZVZRQRIIE-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.65
Rot. Bonds5

About 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine

1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine (PubChem CID 116742706) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
PubChem CID116742706
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
SMILESCOC1(c2noc(CC(N)C(C)C)n2)CCCC(C)C1
InChIInChI=1S/C15H27N3O2/c1-10(2)12(16)8-13-17-14(18-20-13)15(19-4)7-5-6-11(3)9-15/h10-12H,5-9,16H2,1-4H3
InChIKeyAFNVTZVZRQRIIE-UHFFFAOYSA-N
XLogP2.65
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine?
The IUPAC name of 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine (CID 116742706) is 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine.
What is the SMILES notation for 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine?
The canonical SMILES for 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine is COC1(c2noc(CC(N)C(C)C)n2)CCCC(C)C1.
What is the InChIKey of 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine?
The InChIKey is AFNVTZVZRQRIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10(2)12(16)8-13-17-14(18-20-13)15(19-4)7-5-6-11(3)9-15/h10-12H,5-9,16H2,1-4H3.
What are the key properties of 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine?
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine is sourced from PubChem (CID 116742706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).