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

C14H25N3O2 — CID 116742557

IUPAC3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCOC1(c2noc(CC(C)CN)n2)CCC(C)CC1
InChIInChI=1S/C14H25N3O2/c1-10-4-6-14(18-3,7-5-10)13-16-12(19-17-13)8-11(2)9-15/h10-11H,4-9,15H2,1-3H3
InChIKeyLLCDRSFIOFQQEO-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.26
Rot. Bonds5

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

3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (PubChem CID 116742557) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
PubChem CID116742557
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCOC1(c2noc(CC(C)CN)n2)CCC(C)CC1
InChIInChI=1S/C14H25N3O2/c1-10-4-6-14(18-3,7-5-10)13-16-12(19-17-13)8-11(2)9-15/h10-11H,4-9,15H2,1-3H3
InChIKeyLLCDRSFIOFQQEO-UHFFFAOYSA-N
XLogP2.26
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (CID 116742557) is 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is COC1(c2noc(CC(C)CN)n2)CCC(C)CC1.
What is the InChIKey of 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The InChIKey is LLCDRSFIOFQQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10-4-6-14(18-3,7-5-10)13-16-12(19-17-13)8-11(2)9-15/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 116742557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).