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

C15H11N3O4 — CID 2366862

IUPAC2-[(4-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H11N3O4/c19-18(20)12-6-8-13(9-7-12)21-10-14-16-17-15(22-14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyMEUVGPGJAWASLP-UHFFFAOYSA-N
MW297.27 g/mol
LogP3.22
Rot. Bonds5

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

2-[(4-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 2366862) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-[(4-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID2366862
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name2-[(4-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(OCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H11N3O4/c19-18(20)12-6-8-13(9-7-12)21-10-14-16-17-15(22-14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyMEUVGPGJAWASLP-UHFFFAOYSA-N
XLogP3.22
TPSA91.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 53.22
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-[(4-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole (CID 2366862) is 2-[(4-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole is O=[N+]([O-])c1ccc(OCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[(4-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is MEUVGPGJAWASLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c19-18(20)12-6-8-13(9-7-12)21-10-14-16-17-15(22-14)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 2-[(4-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
2-[(4-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 297.27 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 2366862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).