2-(2-bromo-5-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole

C15H10BrN3O4 — CID 2799957

IUPAC2-(2-bromo-5-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(Br)c(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)c1
InChIInChI=1S/C15H10BrN3O4/c1-22-9-6-7-12(16)11(8-9)15-18-17-14(23-15)10-4-2-3-5-13(10)19(20)21/h2-8H,1H3
InChIKeyGCIOCHKCTAPXHW-UHFFFAOYSA-N
MW376.17 g/mol
LogP4.08
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole

2-(2-bromo-5-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole (PubChem CID 2799957) has the molecular formula C15H10BrN3O4 and a molecular weight of 376.17 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole
PubChem CID2799957
Molecular FormulaC15H10BrN3O4
Molecular Weight376.17 g/mol
Exact Mass374.99
IUPAC Name2-(2-bromo-5-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(Br)c(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)c1
InChIInChI=1S/C15H10BrN3O4/c1-22-9-6-7-12(16)11(8-9)15-18-17-14(23-15)10-4-2-3-5-13(10)19(20)21/h2-8H,1H3
InChIKeyGCIOCHKCTAPXHW-UHFFFAOYSA-N
XLogP4.08
TPSA91.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.17
LogP ≤ 54.08
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole (CID 2799957) is 2-(2-bromo-5-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole is COc1ccc(Br)c(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole?
The InChIKey is GCIOCHKCTAPXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O4/c1-22-9-6-7-12(16)11(8-9)15-18-17-14(23-15)10-4-2-3-5-13(10)19(20)21/h2-8H,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole?
2-(2-bromo-5-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole has a molecular weight of 376.17 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2799957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).