2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole

C15H11N3O4 — CID 17359287

IUPAC2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H11N3O4/c1-21-13-8-7-11(9-12(13)18(19)20)15-17-16-14(22-15)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyAJVRKURDMIVXSG-UHFFFAOYSA-N
MW297.27 g/mol
LogP3.32
Rot. Bonds4

About 2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole

2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 17359287) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID17359287
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H11N3O4/c1-21-13-8-7-11(9-12(13)18(19)20)15-17-16-14(22-15)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyAJVRKURDMIVXSG-UHFFFAOYSA-N
XLogP3.32
TPSA91.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 53.32
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-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 17171729
1-[5-(4-methoxy-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 55035005
N-[[5-(4-methoxy-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62139036
3-[5-(4-methoxy-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62072142
2-[(4-methoxy-2-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 7680960
4-methoxy-3-nitro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzamide
CID 26071614
2-(4-methyl-3-nitrophenyl)-5-[4-[4-[5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
CID 3603078
2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 59815296
5-(4-methoxy-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 2183720
2-[(4-methoxy-2-nitrophenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 26035873
2-(4-methylphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 785031
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-methoxy-3-nitrobenzoate
CID 16961576

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole (CID 17359287) is 2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is AJVRKURDMIVXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c1-21-13-8-7-11(9-12(13)18(19)20)15-17-16-14(22-15)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole?
2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 297.27 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 17359287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).