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

C15H10BrN3O4 — CID 7894357

IUPAC2-(2-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccccc1OCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C15H10BrN3O4/c16-11-6-2-1-5-10(11)15-18-17-14(23-15)9-22-13-8-4-3-7-12(13)19(20)21/h1-8H,9H2
InChIKeyNJGRKMGAESEXHI-UHFFFAOYSA-N
MW376.17 g/mol
LogP3.99
Rot. Bonds5

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

2-(2-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 7894357) has the molecular formula C15H10BrN3O4 and a molecular weight of 376.17 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,3,4-oxadiazole
PubChem CID7894357
Molecular FormulaC15H10BrN3O4
Molecular Weight376.17 g/mol
Exact Mass374.99
IUPAC Name2-(2-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccccc1OCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C15H10BrN3O4/c16-11-6-2-1-5-10(11)15-18-17-14(23-15)9-22-13-8-4-3-7-12(13)19(20)21/h1-8H,9H2
InChIKeyNJGRKMGAESEXHI-UHFFFAOYSA-N
XLogP3.99
TPSA91.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.17
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-nitrophenoxy)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 7434113
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-nitrothiophene-2-carboxylate
CID 2613317
2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole
CID 7894332
2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 7713933
2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole
CID 2104338
2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 7894295
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,6-dimethoxybenzoate
CID 4829023
2-[(4-methoxy-2-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 7680960
2-(2-chloroethyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole
CID 43513250
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl benzoate
CID 2516937
2-[(2,6-dibromo-4-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 2397376
2-(2-methylphenyl)-5-[2-(2-nitrophenoxy)ethylsulfanyl]-1,3,4-oxadiazole
CID 47057207

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,3,4-oxadiazole (CID 7894357) is 2-(2-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,3,4-oxadiazole is O=[N+]([O-])c1ccccc1OCc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of 2-(2-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is NJGRKMGAESEXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O4/c16-11-6-2-1-5-10(11)15-18-17-14(23-15)9-22-13-8-4-3-7-12(13)19(20)21/h1-8H,9H2.
What are the key properties of 2-(2-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,3,4-oxadiazole?
2-(2-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 376.17 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 7894357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).