2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

C17H23N3O — CID 83209959

IUPAC2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCc1cccc(Cc2noc(C3(C)CCCCC3N)n2)c1
InChIInChI=1S/C17H23N3O/c1-12-6-5-7-13(10-12)11-15-19-16(21-20-15)17(2)9-4-3-8-14(17)18/h5-7,10,14H,3-4,8-9,11,18H2,1-2H3
InChIKeyZTYJOWKRZGYQJD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.13
Rot. Bonds3

About 2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 83209959) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID83209959
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCc1cccc(Cc2noc(C3(C)CCCCC3N)n2)c1
InChIInChI=1S/C17H23N3O/c1-12-6-5-7-13(10-12)11-15-19-16(21-20-15)17(2)9-4-3-8-14(17)18/h5-7,10,14H,3-4,8-9,11,18H2,1-2H3
InChIKeyZTYJOWKRZGYQJD-UHFFFAOYSA-N
XLogP3.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-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-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 83209959) is 2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is Cc1cccc(Cc2noc(C3(C)CCCCC3N)n2)c1.
What is the InChIKey of 2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is ZTYJOWKRZGYQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-6-5-7-13(10-12)11-15-19-16(21-20-15)17(2)9-4-3-8-14(17)18/h5-7,10,14H,3-4,8-9,11,18H2,1-2H3.
What are the key properties of 2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 83209959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).