4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide

C14H9N5O4 — CID 5074075

IUPAC4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccnc2)o1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9N5O4/c20-12(9-3-5-11(6-4-9)19(21)22)16-14-18-17-13(23-14)10-2-1-7-15-8-10/h1-8H,(H,16,18,20)
InChIKeyLVBDWVAEFCBOHG-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.29
Rot. Bonds4

About 4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide

4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 5074075) has the molecular formula C14H9N5O4 and a molecular weight of 311.26 g/mol. Its IUPAC name is 4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID5074075
Molecular FormulaC14H9N5O4
Molecular Weight311.26 g/mol
Exact Mass311.07
IUPAC Name4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccnc2)o1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9N5O4/c20-12(9-3-5-11(6-4-9)19(21)22)16-14-18-17-13(23-14)10-2-1-7-15-8-10/h1-8H,(H,16,18,20)
InChIKeyLVBDWVAEFCBOHG-UHFFFAOYSA-N
XLogP2.29
TPSA124.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
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

4-fluoro-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686369
4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4053542
4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4072968
3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 5103347
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 18553446
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 43952099
2-[(4-nitrophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 556141
2,5-dichloro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3472142
N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pentanamide
CID 4621791
N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686399
3-(4-nitrophenyl)-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide
CID 3368130
4-nitro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 121036912

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 5074075) is 4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2cccnc2)o1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is LVBDWVAEFCBOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O4/c20-12(9-3-5-11(6-4-9)19(21)22)16-14-18-17-13(23-14)10-2-1-7-15-8-10/h1-8H,(H,16,18,20).
What are the key properties of 4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 311.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 5074075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).