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

C14H9N5O4 — CID 3708944

IUPAC3-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccnc2)o1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H9N5O4/c20-12(9-3-1-5-11(7-9)19(21)22)16-14-18-17-13(23-14)10-4-2-6-15-8-10/h1-8H,(H,16,18,20)
InChIKeyYJIPHRWKNNODTI-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.29
Rot. Bonds4

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

3-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 3708944) has the molecular formula C14H9N5O4 and a molecular weight of 311.26 g/mol. Its IUPAC name is 3-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID3708944
Molecular FormulaC14H9N5O4
Molecular Weight311.26 g/mol
Exact Mass311.07
IUPAC Name3-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccnc2)o1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H9N5O4/c20-12(9-3-1-5-11(7-9)19(21)22)16-14-18-17-13(23-14)10-4-2-6-15-8-10/h1-8H,(H,16,18,20)
InChIKeyYJIPHRWKNNODTI-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

5-{4-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644860
N-(3-methylphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644889
3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3397365
2-chloro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4058147
3-chloro-N-[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4226990
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7100780
1,3,4-Oxadiazol-2-amine, N-phenyl-5-(3-pyridinyl)-
CID 3041662
2-fluoro-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3463675
3-methyl-N-(5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4645483
2-methyl-N-(5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 5078768
4-Methyl-N-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]benzamide
CID 5175267
N-[(E)-(4-nitrophenyl)methylideneamino]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 14489592

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 3-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 3708944) is 3-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 3-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 3-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2cccnc2)o1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is YJIPHRWKNNODTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O4/c20-12(9-3-1-5-11(7-9)19(21)22)16-14-18-17-13(23-14)10-4-2-6-15-8-10/h1-8H,(H,16,18,20).
What are the key properties of 3-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
3-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 3-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 3708944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).