2-[(2-bromophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole

C17H11BrClFN2O — CID 146324580

IUPAC2-[(2-bromophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
SMILESFc1ccc(/C=C/c2nnc(Cc3ccccc3Br)o2)c(Cl)c1
InChIInChI=1S/C17H11BrClFN2O/c18-14-4-2-1-3-12(14)9-17-22-21-16(23-17)8-6-11-5-7-13(20)10-15(11)19/h1-8,10H,9H2/b8-6+
InChIKeyZQSJJURRQAUQDW-SOFGYWHQSA-N
MW393.64 g/mol
LogP5.39
Rot. Bonds4

About 2-[(2-bromophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole

2-[(2-bromophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole (PubChem CID 146324580) has the molecular formula C17H11BrClFN2O and a molecular weight of 393.64 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
PubChem CID146324580
Molecular FormulaC17H11BrClFN2O
Molecular Weight393.64 g/mol
Exact Mass391.97
IUPAC Name2-[(2-bromophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
SMILESFc1ccc(/C=C/c2nnc(Cc3ccccc3Br)o2)c(Cl)c1
InChIInChI=1S/C17H11BrClFN2O/c18-14-4-2-1-3-12(14)9-17-22-21-16(23-17)8-6-11-5-7-13(20)10-15(11)19/h1-8,10H,9H2/b8-6+
InChIKeyZQSJJURRQAUQDW-SOFGYWHQSA-N
XLogP5.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.64
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2-bromophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(4-bromo-3-fluorophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
CID 142316123
2-[(6-bromo-3-pyridinyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
CID 146324640
2-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 142316119
2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole
CID 142315972
1-(2-bromophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 55118420
2-[(E)-2-(2-bromo-4,6-difluorophenyl)ethenyl]-5-[(3-bromophenyl)methyl]-1,3,4-oxadiazole
CID 146324566
2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole
CID 142316002
3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473168
1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
CID 102618839
acetylene;2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(3-methylphenyl)methyl]-1,3,4-oxadiazole
CID 142315985
2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 114771364
2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63420196

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-bromophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole (CID 146324580) is 2-[(2-bromophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole is Fc1ccc(/C=C/c2nnc(Cc3ccccc3Br)o2)c(Cl)c1.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole?
The InChIKey is ZQSJJURRQAUQDW-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H11BrClFN2O/c18-14-4-2-1-3-12(14)9-17-22-21-16(23-17)8-6-11-5-7-13(20)10-15(11)19/h1-8,10H,9H2/b8-6+.
What are the key properties of 2-[(2-bromophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole?
2-[(2-bromophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole has a molecular weight of 393.64 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-5-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 146324580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).