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

C15H9FN4O4 — CID 92686401

IUPAC4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(F)cc1
InChIInChI=1S/C15H9FN4O4/c16-10-7-5-9(6-8-10)13(21)17-15-19-18-14(24-15)11-3-1-2-4-12(11)20(22)23/h1-8H,(H,17,19,21)
InChIKeyATQUGWSYYNOGGI-UHFFFAOYSA-N
MW328.26 g/mol
LogP3.04
Rot. Bonds4

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

4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 92686401) has the molecular formula C15H9FN4O4 and a molecular weight of 328.26 g/mol. Its IUPAC name is 4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID92686401
Molecular FormulaC15H9FN4O4
Molecular Weight328.26 g/mol
Exact Mass328.06
IUPAC Name4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(F)cc1
InChIInChI=1S/C15H9FN4O4/c16-10-7-5-9(6-8-10)13(21)17-15-19-18-14(24-15)11-3-1-2-4-12(11)20(22)23/h1-8H,(H,17,19,21)
InChIKeyATQUGWSYYNOGGI-UHFFFAOYSA-N
XLogP3.04
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 53.04
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

N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686399
4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134909786
4-fluoro-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686369
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-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43972170
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972074
N-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide
CID 164839624
4-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4986401
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
2-nitro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972415
N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide
CID 7294988

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 92686401) is 4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is ATQUGWSYYNOGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O4/c16-10-7-5-9(6-8-10)13(21)17-15-19-18-14(24-15)11-3-1-2-4-12(11)20(22)23/h1-8H,(H,17,19,21).
What are the key properties of 4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 328.26 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 92686401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).