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

C17H23N3O — CID 61352127

IUPAC1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
SMILESCc1ccc(-c2nc(C3(N)CCCC(C)C3)no2)cc1C
InChIInChI=1S/C17H23N3O/c1-11-5-4-8-17(18,10-11)16-19-15(21-20-16)14-7-6-12(2)13(3)9-14/h6-7,9,11H,4-5,8,10,18H2,1-3H3
InChIKeyWMSOSHSQKPLRGI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.72
Rot. Bonds2

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

1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine (PubChem CID 61352127) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
PubChem CID61352127
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
SMILESCc1ccc(-c2nc(C3(N)CCCC(C)C3)no2)cc1C
InChIInChI=1S/C17H23N3O/c1-11-5-4-8-17(18,10-11)16-19-15(21-20-16)14-7-6-12(2)13(3)9-14/h6-7,9,11H,4-5,8,10,18H2,1-3H3
InChIKeyWMSOSHSQKPLRGI-UHFFFAOYSA-N
XLogP3.72
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine (CID 61352127) is 1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine is Cc1ccc(-c2nc(C3(N)CCCC(C)C3)no2)cc1C.
What is the InChIKey of 1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine?
The InChIKey is WMSOSHSQKPLRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-5-4-8-17(18,10-11)16-19-15(21-20-16)14-7-6-12(2)13(3)9-14/h6-7,9,11H,4-5,8,10,18H2,1-3H3.
What are the key properties of 1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine?
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 61352127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).