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

C17H23N3O — CID 61352531

IUPAC3-methyl-1-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCc1ccccc1Cc1nc(C2(N)CCCC(C)C2)no1
InChIInChI=1S/C17H23N3O/c1-12-6-5-9-17(18,11-12)16-19-15(21-20-16)10-14-8-4-3-7-13(14)2/h3-4,7-8,12H,5-6,9-11,18H2,1-2H3
InChIKeyWQAXVTHRQLSPBL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.33
Rot. Bonds3

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

3-methyl-1-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 61352531) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-methyl-1-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID61352531
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-methyl-1-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCc1ccccc1Cc1nc(C2(N)CCCC(C)C2)no1
InChIInChI=1S/C17H23N3O/c1-12-6-5-9-17(18,11-12)16-19-15(21-20-16)10-14-8-4-3-7-13(14)2/h3-4,7-8,12H,5-6,9-11,18H2,1-2H3
InChIKeyWQAXVTHRQLSPBL-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 43559385
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 61352127
1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 114560830
3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 43559629
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 61352528
3-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 102922589
1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 61352732
4-[3-(1-amino-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 61352527
trans-(1S,3R)-3-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259850
1-[5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856616
1-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 62960296
1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 104639528

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-1-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 61352531) is 3-methyl-1-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-1-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-1-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is Cc1ccccc1Cc1nc(C2(N)CCCC(C)C2)no1.
What is the InChIKey of 3-methyl-1-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is WQAXVTHRQLSPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-6-5-9-17(18,11-12)16-19-15(21-20-16)10-14-8-4-3-7-13(14)2/h3-4,7-8,12H,5-6,9-11,18H2,1-2H3.
What are the key properties of 3-methyl-1-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
3-methyl-1-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 61352531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).