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

C15H17BrClN3O — CID 107992737

IUPAC1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2noc(-c3ccc(Cl)cc3Br)n2)C1
InChIInChI=1S/C15H17BrClN3O/c1-9-3-2-6-15(18,8-9)14-19-13(21-20-14)11-5-4-10(17)7-12(11)16/h4-5,7,9H,2-3,6,8,18H2,1H3
InChIKeyGDXHDMWUPWIBPS-UHFFFAOYSA-N
MW370.68 g/mol
LogP4.52
Rot. Bonds2

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

1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine (PubChem CID 107992737) has the molecular formula C15H17BrClN3O and a molecular weight of 370.68 g/mol. Its IUPAC name is 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
PubChem CID107992737
Molecular FormulaC15H17BrClN3O
Molecular Weight370.68 g/mol
Exact Mass369.02
IUPAC Name1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2noc(-c3ccc(Cl)cc3Br)n2)C1
InChIInChI=1S/C15H17BrClN3O/c1-9-3-2-6-15(18,8-9)14-19-13(21-20-14)11-5-4-10(17)7-12(11)16/h4-5,7,9H,2-3,6,8,18H2,1H3
InChIKeyGDXHDMWUPWIBPS-UHFFFAOYSA-N
XLogP4.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.68
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-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-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 61352732
1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 114560830
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 61352127
1-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 62960296
3-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 102922589
4-[3-(1-amino-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 61352527
1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 102811168
1-[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61351714
1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 104639528
1-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353693
1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 106863473
5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine
CID 107992789

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine (CID 107992737) is 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine is CC1CCCC(N)(c2noc(-c3ccc(Cl)cc3Br)n2)C1.
What is the InChIKey of 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine?
The InChIKey is GDXHDMWUPWIBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3O/c1-9-3-2-6-15(18,8-9)14-19-13(21-20-14)11-5-4-10(17)7-12(11)16/h4-5,7,9H,2-3,6,8,18H2,1H3.
What are the key properties of 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine?
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine has a molecular weight of 370.68 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 107992737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).