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

C16H21N3OS — CID 106847195

IUPAC3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCSc1ccc(-c2noc(C3(N)CCCC(C)C3)n2)cc1
InChIInChI=1S/C16H21N3OS/c1-11-4-3-9-16(17,10-11)15-18-14(19-20-15)12-5-7-13(21-2)8-6-12/h5-8,11H,3-4,9-10,17H2,1-2H3
InChIKeyUUKBCCFFJICBDZ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.82
Rot. Bonds3

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

3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 106847195) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID106847195
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCSc1ccc(-c2noc(C3(N)CCCC(C)C3)n2)cc1
InChIInChI=1S/C16H21N3OS/c1-11-4-3-9-16(17,10-11)15-18-14(19-20-15)12-5-7-13(21-2)8-6-12/h5-8,11H,3-4,9-10,17H2,1-2H3
InChIKeyUUKBCCFFJICBDZ-UHFFFAOYSA-N
XLogP3.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[3-(4-methylsulfanylphenyl)-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

Related Compounds

1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
CID 61291082
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
CID 61292404
3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 61289970
3-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 114876893
1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
CID 119999976
1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
CID 79783090
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine
CID 64981922
[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 106847445
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 61291995
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 106847559
3-(4-methylsulfanylphenyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983519
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 61352127

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 106847195) is 3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CSc1ccc(-c2noc(C3(N)CCCC(C)C3)n2)cc1.
What is the InChIKey of 3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is UUKBCCFFJICBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11-4-3-9-16(17,10-11)15-18-14(19-20-15)12-5-7-13(21-2)8-6-12/h5-8,11H,3-4,9-10,17H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 303.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 106847195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).