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

C15H10BrClN2O — CID 926666

IUPAC3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole
SMILESClc1ccc(Cc2nc(-c3ccc(Br)cc3)no2)cc1
InChIInChI=1S/C15H10BrClN2O/c16-12-5-3-11(4-6-12)15-18-14(20-19-15)9-10-1-7-13(17)8-2-10/h1-8H,9H2
InChIKeyYNZFIDQDCMAKCF-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.74
Rot. Bonds3

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

3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 926666) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID926666
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole
SMILESClc1ccc(Cc2nc(-c3ccc(Br)cc3)no2)cc1
InChIInChI=1S/C15H10BrClN2O/c16-12-5-3-11(4-6-12)15-18-14(20-19-15)9-10-1-7-13(17)8-2-10/h1-8H,9H2
InChIKeyYNZFIDQDCMAKCF-UHFFFAOYSA-N
XLogP4.74
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888655
5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole
CID 162730893
4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzene-1,2-diol
CID 122189976
5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65345469
4-[[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845084
4-[[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 63092250
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 62535165
[2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81312269

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole (CID 926666) is 3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole is Clc1ccc(Cc2nc(-c3ccc(Br)cc3)no2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is YNZFIDQDCMAKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-12-5-3-11(4-6-12)15-18-14(20-19-15)9-10-1-7-13(17)8-2-10/h1-8H,9H2.
What are the key properties of 3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole?
3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 349.62 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 926666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).