N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide

C15H10N4O4 — CID 92686399

IUPACN-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1
InChIInChI=1S/C15H10N4O4/c20-13(10-6-2-1-3-7-10)16-15-18-17-14(23-15)11-8-4-5-9-12(11)19(21)22/h1-9H,(H,16,18,20)
InChIKeyZVSDZVFMQIUJEN-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.90
Rot. Bonds4

About N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide

N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 92686399) has the molecular formula C15H10N4O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID92686399
Molecular FormulaC15H10N4O4
Molecular Weight310.27 g/mol
Exact Mass310.07
IUPAC NameN-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1
InChIInChI=1S/C15H10N4O4/c20-13(10-6-2-1-3-7-10)16-15-18-17-14(23-15)11-8-4-5-9-12(11)19(21)22/h1-9H,(H,16,18,20)
InChIKeyZVSDZVFMQIUJEN-UHFFFAOYSA-N
XLogP2.90
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
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

4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686401
4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134909786
2,2-dimethyl-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 92686421
(E)-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 92686414
N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide
CID 7294988
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972074
2-nitro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972415
4-benzoyl-N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603183
N-[5-(5-iodothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 129134908
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43977031
4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 5074075
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43972170

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 92686399) is N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1.
What is the InChIKey of N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is ZVSDZVFMQIUJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O4/c20-13(10-6-2-1-3-7-10)16-15-18-17-14(23-15)11-8-4-5-9-12(11)19(21)22/h1-9H,(H,16,18,20).
What are the key properties of N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 310.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 92686399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).