5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde

C16H10BrClN2O3 — CID 16595326

IUPAC5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H10BrClN2O3/c17-12-3-6-14(11(7-12)8-21)22-9-15-19-16(20-23-15)10-1-4-13(18)5-2-10/h1-8H,9H2
InChIKeyCAYZEONZNWJGPF-UHFFFAOYSA-N
MW393.62 g/mol
LogP4.54
Rot. Bonds5

About 5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde

5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde (PubChem CID 16595326) has the molecular formula C16H10BrClN2O3 and a molecular weight of 393.62 g/mol. Its IUPAC name is 5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
PubChem CID16595326
Molecular FormulaC16H10BrClN2O3
Molecular Weight393.62 g/mol
Exact Mass391.96
IUPAC Name5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H10BrClN2O3/c17-12-3-6-14(11(7-12)8-21)22-9-15-19-16(20-23-15)10-1-4-13(18)5-2-10/h1-8H,9H2
InChIKeyCAYZEONZNWJGPF-UHFFFAOYSA-N
XLogP4.54
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.62
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 987928
5-bromo-2-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 16595328
5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 24670741
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029346
5-[(4-bromo-2-fluorophenoxy)methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 30823965
2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 63746874
5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde
CID 20988193
3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole
CID 926666
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
CID 43324795
5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 882526
5-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-(4-bromophenyl)-1,2,4-oxadiazole
CID 4038085
3-(4-chlorophenyl)-5-[(4-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 3899279

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde?
The IUPAC name of 5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde (CID 16595326) is 5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde.
What is the SMILES notation for 5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde?
The canonical SMILES for 5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde is O=Cc1cc(Br)ccc1OCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde?
The InChIKey is CAYZEONZNWJGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN2O3/c17-12-3-6-14(11(7-12)8-21)22-9-15-19-16(20-23-15)10-1-4-13(18)5-2-10/h1-8H,9H2.
What are the key properties of 5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde?
5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde has a molecular weight of 393.62 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde is sourced from PubChem (CID 16595326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).