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

C16H20ClN3O — CID 106863473

IUPAC1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCc1ccc(-c2nc(C3(N)CCC(C)CC3)no2)c(Cl)c1
InChIInChI=1S/C16H20ClN3O/c1-10-5-7-16(18,8-6-10)15-19-14(21-20-15)12-4-3-11(2)9-13(12)17/h3-4,9-10H,5-8,18H2,1-2H3
InChIKeyCOUPCRKYIXYKBN-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.06
Rot. Bonds2

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

1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (PubChem CID 106863473) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
PubChem CID106863473
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCc1ccc(-c2nc(C3(N)CCC(C)CC3)no2)c(Cl)c1
InChIInChI=1S/C16H20ClN3O/c1-10-5-7-16(18,8-6-10)15-19-14(21-20-15)12-4-3-11(2)9-13(12)17/h3-4,9-10H,5-8,18H2,1-2H3
InChIKeyCOUPCRKYIXYKBN-UHFFFAOYSA-N
XLogP4.06
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-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

Related Compounds

1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 107099601
1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862317
1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353118
1-[5-(2-chloro-4-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859270
1-[5-(2-chloro-4-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850939
1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 105064371
4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 102922588
4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353339
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 107992737
1-[5-(5-methyl-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 65462850
1-[5-(2,4-dichloro-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862076
1-[5-(2-chloro-5-iodophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860016

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (CID 106863473) is 1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine is Cc1ccc(-c2nc(C3(N)CCC(C)CC3)no2)c(Cl)c1.
What is the InChIKey of 1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The InChIKey is COUPCRKYIXYKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-10-5-7-16(18,8-6-10)15-19-14(21-20-15)12-4-3-11(2)9-13(12)17/h3-4,9-10H,5-8,18H2,1-2H3.
What are the key properties of 1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine has a molecular weight of 305.81 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 106863473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).