2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine

C14H25N3O2 — CID 116702810

IUPAC2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
SMILESCOC(c1noc(C2(C)CCCCC2N)n1)C(C)C
InChIInChI=1S/C14H25N3O2/c1-9(2)11(18-4)12-16-13(19-17-12)14(3)8-6-5-7-10(14)15/h9-11H,5-8,15H2,1-4H3
InChIKeySWTOBRCNAVNPQT-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.57
Rot. Bonds4

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

2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine (PubChem CID 116702810) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
PubChem CID116702810
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
SMILESCOC(c1noc(C2(C)CCCCC2N)n1)C(C)C
InChIInChI=1S/C14H25N3O2/c1-9(2)11(18-4)12-16-13(19-17-12)14(3)8-6-5-7-10(14)15/h9-11H,5-8,15H2,1-4H3
InChIKeySWTOBRCNAVNPQT-UHFFFAOYSA-N
XLogP2.57
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine?
The IUPAC name of 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine (CID 116702810) is 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine?
The canonical SMILES for 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine is COC(c1noc(C2(C)CCCCC2N)n1)C(C)C.
What is the InChIKey of 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine?
The InChIKey is SWTOBRCNAVNPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9(2)11(18-4)12-16-13(19-17-12)14(3)8-6-5-7-10(14)15/h9-11H,5-8,15H2,1-4H3.
What are the key properties of 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine?
2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 116702810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).