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

C14H14BrClN2O — CID 104538231

IUPAC2-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole
SMILESClc1ccc(Br)c(-c2nnc(C3CCCCC3)o2)c1
InChIInChI=1S/C14H14BrClN2O/c15-12-7-6-10(16)8-11(12)14-18-17-13(19-14)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyIGYVXLSKGLGLKR-UHFFFAOYSA-N
MW341.64 g/mol
LogP5.20
Rot. Bonds2

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

2-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole (PubChem CID 104538231) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole
PubChem CID104538231
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name2-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole
SMILESClc1ccc(Br)c(-c2nnc(C3CCCCC3)o2)c1
InChIInChI=1S/C14H14BrClN2O/c15-12-7-6-10(16)8-11(12)14-18-17-13(19-14)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyIGYVXLSKGLGLKR-UHFFFAOYSA-N
XLogP5.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.64
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-5-(2,5-dibromophenyl)-1,3,4-oxadiazole
CID 114369729
4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline
CID 82486187
2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole
CID 104524995
2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole
CID 62076840
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclohexyl-1,3,4-oxadiazole
CID 24994326
2-chloro-5-cyclohexyl-1,3,4-oxadiazole
CID 82281079
2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline
CID 62075542
2-cyclohexyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 863679
2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 81436210
2-(3-bromo-5-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole
CID 104851677
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
CID 83382259
2-bromo-5-cyclooctyl-1,3,4-oxadiazole
CID 114771199

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole (CID 104538231) is 2-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole is Clc1ccc(Br)c(-c2nnc(C3CCCCC3)o2)c1.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole?
The InChIKey is IGYVXLSKGLGLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c15-12-7-6-10(16)8-11(12)14-18-17-13(19-14)9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole?
2-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole has a molecular weight of 341.64 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole is sourced from PubChem (CID 104538231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).