2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole

C15H17BrN2O — CID 104851677

IUPAC2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole
SMILESCc1cc(Br)cc(-c2nnc(C3CCCCC3)o2)c1
InChIInChI=1S/C15H17BrN2O/c1-10-7-12(9-13(16)8-10)15-18-17-14(19-15)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyIKXBYLZHPRJNKV-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.86
Rot. Bonds2

About 2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole

2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole (PubChem CID 104851677) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole
PubChem CID104851677
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole
SMILESCc1cc(Br)cc(-c2nnc(C3CCCCC3)o2)c1
InChIInChI=1S/C15H17BrN2O/c1-10-7-12(9-13(16)8-10)15-18-17-14(19-15)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyIKXBYLZHPRJNKV-UHFFFAOYSA-N
XLogP4.86
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole 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

2-cyclohexyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 863679
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
CID 83382259
2-cyclopentyl-5-(2,5-dibromophenyl)-1,3,4-oxadiazole
CID 114369729
2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 53017492
2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82045304
3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-ethoxyaniline
CID 81094693
2-(4-methylphenyl)-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
CID 39347689
2-bromo-5-cyclooctyl-1,3,4-oxadiazole
CID 114771199
2-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole
CID 104538231
2-(3,5-dibromophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 58961736
2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole
CID 104523710
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615413

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole (CID 104851677) is 2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole is Cc1cc(Br)cc(-c2nnc(C3CCCCC3)o2)c1.
What is the InChIKey of 2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole?
The InChIKey is IKXBYLZHPRJNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-7-12(9-13(16)8-10)15-18-17-14(19-15)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3.
What are the key properties of 2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole?
2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole has a molecular weight of 321.22 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole is sourced from PubChem (CID 104851677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).