N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide

C15H9FN4O4 — CID 5187457

IUPACN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)o1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H9FN4O4/c16-11-6-4-9(5-7-11)14-18-19-15(24-14)17-13(21)10-2-1-3-12(8-10)20(22)23/h1-8H,(H,17,19,21)
InChIKeyIIZXTDRKWVLPNT-UHFFFAOYSA-N
MW328.26 g/mol
LogP3.04
Rot. Bonds4

About N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide (PubChem CID 5187457) has the molecular formula C15H9FN4O4 and a molecular weight of 328.26 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide
PubChem CID5187457
Molecular FormulaC15H9FN4O4
Molecular Weight328.26 g/mol
Exact Mass328.06
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)o1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H9FN4O4/c16-11-6-4-9(5-7-11)14-18-19-15(24-14)17-13(21)10-2-1-3-12(8-10)20(22)23/h1-8H,(H,17,19,21)
InChIKeyIIZXTDRKWVLPNT-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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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide (CID 5187457) is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide is O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide?
The InChIKey is IIZXTDRKWVLPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O4/c16-11-6-4-9(5-7-11)14-18-19-15(24-14)17-13(21)10-2-1-3-12(8-10)20(22)23/h1-8H,(H,17,19,21).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide?
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide 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 N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide is sourced from PubChem (CID 5187457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).