2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole

C9H6BrClN2O — CID 82306710

IUPAC2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(Cc2nnc(Br)o2)cc1
InChIInChI=1S/C9H6BrClN2O/c10-9-13-12-8(14-9)5-6-1-3-7(11)4-2-6/h1-4H,5H2
InChIKeyALPLYAKXEDLTHX-UHFFFAOYSA-N
MW273.52 g/mol
LogP3.08
Rot. Bonds2

About 2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole

2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole (PubChem CID 82306710) has the molecular formula C9H6BrClN2O and a molecular weight of 273.52 g/mol. Its IUPAC name is 2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
PubChem CID82306710
Molecular FormulaC9H6BrClN2O
Molecular Weight273.52 g/mol
Exact Mass271.94
IUPAC Name2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(Cc2nnc(Br)o2)cc1
InChIInChI=1S/C9H6BrClN2O/c10-9-13-12-8(14-9)5-6-1-3-7(11)4-2-6/h1-4H,5H2
InChIKeyALPLYAKXEDLTHX-UHFFFAOYSA-N
XLogP3.08
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 114771095
2-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 19550536
3-[(5-bromo-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 84708074
5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide
CID 5308560
2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 114771364
2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 53017502
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023
4-[[5-[(4-aminophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 95909479
2-[(4-chlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole
CID 19585229
5-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 24866777
(4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol
CID 175726291
5-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431487

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole (CID 82306710) is 2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole is Clc1ccc(Cc2nnc(Br)o2)cc1.
What is the InChIKey of 2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is ALPLYAKXEDLTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O/c10-9-13-12-8(14-9)5-6-1-3-7(11)4-2-6/h1-4H,5H2.
What are the key properties of 2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole?
2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 273.52 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 82306710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).