[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

C14H25N3O2 — CID 104963886

IUPAC[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCCCC(OC)c1noc(C2CCC(CN)CC2)n1
InChIInChI=1S/C14H25N3O2/c1-3-4-12(18-2)13-16-14(19-17-13)11-7-5-10(9-15)6-8-11/h10-12H,3-9,15H2,1-2H3
InChIKeyZSBFIQJCTRXEEY-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.79
Rot. Bonds6

About [4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 104963886) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is [4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID104963886
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCCCC(OC)c1noc(C2CCC(CN)CC2)n1
InChIInChI=1S/C14H25N3O2/c1-3-4-12(18-2)13-16-14(19-17-13)11-7-5-10(9-15)6-8-11/h10-12H,3-9,15H2,1-2H3
InChIKeyZSBFIQJCTRXEEY-UHFFFAOYSA-N
XLogP2.79
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine with MolForge

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Related Compounds

[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 104963887
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 116702661
2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 116733253
[4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79525079
N-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine
CID 116730928
1-[5-(4-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326434
[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 116702739
[5-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 116702191
2-[[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483653
[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116702509
ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 171503859
3-(1-chlorobutyl)-5-cycloheptyl-1,2,4-oxadiazole
CID 103095789

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 104963886) is [4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is CCCC(OC)c1noc(C2CCC(CN)CC2)n1.
What is the InChIKey of [4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is ZSBFIQJCTRXEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-4-12(18-2)13-16-14(19-17-13)11-7-5-10(9-15)6-8-11/h10-12H,3-9,15H2,1-2H3.
What are the key properties of [4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 104963886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).