5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole

C14H8N4O5 — CID 8895310

IUPAC5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)no2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H8N4O5/c19-17(20)10-6-7-11(12(8-10)18(21)22)14-15-13(16-23-14)9-4-2-1-3-5-9/h1-8H
InChIKeyZEKGIZAWOPVVMN-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.22
Rot. Bonds4

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

5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 8895310) has the molecular formula C14H8N4O5 and a molecular weight of 312.24 g/mol. Its IUPAC name is 5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole
PubChem CID8895310
Molecular FormulaC14H8N4O5
Molecular Weight312.24 g/mol
Exact Mass312.05
IUPAC Name5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)no2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H8N4O5/c19-17(20)10-6-7-11(12(8-10)18(21)22)14-15-13(16-23-14)9-4-2-1-3-5-9/h1-8H
InChIKeyZEKGIZAWOPVVMN-UHFFFAOYSA-N
XLogP3.22
TPSA125.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

3-(4-bromophenyl)-5-(2,4-dinitrophenyl)-1,2,4-oxadiazole
CID 8895320
3-(4-chlorophenyl)-5-(2,4-dinitrophenyl)-1,2,4-oxadiazole
CID 8895316
5-(2,4-dinitrophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 8895313
3-(4-chlorophenyl)-5-(2-nitrophenyl)-1,2,4-oxadiazole
CID 3482072
4-(2,4-dinitrophenyl)-2-phenylquinazoline
CID 3744800
3-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 28942061
3,5-bis(4-nitrophenyl)-1,2,4-oxadiazole
CID 596524
3-(3-bromophenyl)-5-(4-chloro-2-nitrophenyl)-1,2,4-oxadiazole
CID 8895447
5-(2-chloro-4-methylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 886062
5-(2-methylfuran-3-yl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 8895133
5-(4-methylphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 877489
3-(4-methoxyphenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
CID 883697

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole (CID 8895310) is 5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole is O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)no2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is ZEKGIZAWOPVVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O5/c19-17(20)10-6-7-11(12(8-10)18(21)22)14-15-13(16-23-14)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole?
5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 312.24 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 8895310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).