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

C16H11BrN2O3 — CID 2468131

IUPAC4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2nnc(-c3ccccc3Br)o2)cc1
InChIInChI=1S/C16H11BrN2O3/c17-14-4-2-1-3-13(14)16-19-18-15(22-16)10-21-12-7-5-11(9-20)6-8-12/h1-9H,10H2
InChIKeySMDGFXRPVVEBQD-UHFFFAOYSA-N
MW359.18 g/mol
LogP3.89
Rot. Bonds5

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

4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde (PubChem CID 2468131) has the molecular formula C16H11BrN2O3 and a molecular weight of 359.18 g/mol. Its IUPAC name is 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde
PubChem CID2468131
Molecular FormulaC16H11BrN2O3
Molecular Weight359.18 g/mol
Exact Mass358.00
IUPAC Name4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2nnc(-c3ccccc3Br)o2)cc1
InChIInChI=1S/C16H11BrN2O3/c17-14-4-2-1-3-13(14)16-19-18-15(22-16)10-21-12-7-5-11(9-20)6-8-12/h1-9H,10H2
InChIKeySMDGFXRPVVEBQD-UHFFFAOYSA-N
XLogP3.89
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 53.89
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

2-(4-Fluoro-phenyl)-5-m-tolyloxymethyl-[1,3,4]oxadiazole
CID 671988
2-(2-Bromophenyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole
CID 1325823
2-(4-Bromophenyl)-5-(2-furyl)-1,3,4-oxadiazole
CID 1362916
2-(4-Bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester
CID 2080384
2-(2-Bromophenyl)-5-[(2-chloro-4-fluorophenoxy)methyl]-1,3,4-oxadiazole
CID 2084335
2-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 2089372
2-(2-Bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 2091123
2-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile
CID 2101223
2-(2-Bromophenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 2161535
2-(2-Bromophenyl)-5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 2437956
(5-Phenyl-1,3,4-oxadiazol-2-YL)methyl 5-bromo-2-furoate
CID 2642917
[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-YL]methyl 2-furoate
CID 6460564

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde?
The IUPAC name of 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde (CID 2468131) is 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde.
What is the SMILES notation for 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde?
The canonical SMILES for 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde is O=Cc1ccc(OCc2nnc(-c3ccccc3Br)o2)cc1.
What is the InChIKey of 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde?
The InChIKey is SMDGFXRPVVEBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O3/c17-14-4-2-1-3-13(14)16-19-18-15(22-16)10-21-12-7-5-11(9-20)6-8-12/h1-9H,10H2.
What are the key properties of 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde?
4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde has a molecular weight of 359.18 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde is sourced from PubChem (CID 2468131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).