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

C14H25N3O2 — CID 104963887

IUPAC[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCOC(c1noc(C2CCC(CN)CC2)n1)C(C)C
InChIInChI=1S/C14H25N3O2/c1-9(2)12(18-3)13-16-14(19-17-13)11-6-4-10(8-15)5-7-11/h9-12H,4-8,15H2,1-3H3
InChIKeyHPWAOVROJUVNQN-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.65
Rot. Bonds5

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

[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 104963887) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is [4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID104963887
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCOC(c1noc(C2CCC(CN)CC2)n1)C(C)C
InChIInChI=1S/C14H25N3O2/c1-9(2)12(18-3)13-16-14(19-17-13)11-6-4-10(8-15)5-7-11/h9-12H,4-8,15H2,1-3H3
InChIKeyHPWAOVROJUVNQN-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 104963887) is [4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is COC(c1noc(C2CCC(CN)CC2)n1)C(C)C.
What is the InChIKey of [4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is HPWAOVROJUVNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9(2)12(18-3)13-16-14(19-17-13)11-6-4-10(8-15)5-7-11/h9-12H,4-8,15H2,1-3H3.
What are the key properties of [4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 267.37 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 [4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 104963887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).