3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C13H7N5O6S — CID 4536722

IUPAC3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C13H7N5O6S/c19-11(7-4-8(17(20)21)6-9(5-7)18(22)23)14-13-16-15-12(24-13)10-2-1-3-25-10/h1-6H,(H,14,16,19)
InChIKeySKUGSRZXYBIWRW-UHFFFAOYSA-N
MW361.30 g/mol
LogP2.87
Rot. Bonds5

About 3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 4536722) has the molecular formula C13H7N5O6S and a molecular weight of 361.30 g/mol. Its IUPAC name is 3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID4536722
Molecular FormulaC13H7N5O6S
Molecular Weight361.30 g/mol
Exact Mass361.01
IUPAC Name3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C13H7N5O6S/c19-11(7-4-8(17(20)21)6-9(5-7)18(22)23)14-13-16-15-12(24-13)10-2-1-3-25-10/h1-6H,(H,14,16,19)
InChIKeySKUGSRZXYBIWRW-UHFFFAOYSA-N
XLogP2.87
TPSA154.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4986401
(E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide
CID 2104472
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43977031
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43972170
3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide
CID 70941492
4-propan-2-ylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 18587122
2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4536716
2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4078289
5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
CID 3688984
N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 155235610
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide
CID 90602788
4-methyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide
CID 45496806

Frequently Asked Questions

What is the IUPAC name of 3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 4536722) is 3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2cccs2)o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of 3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is SKUGSRZXYBIWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N5O6S/c19-11(7-4-8(17(20)21)6-9(5-7)18(22)23)14-13-16-15-12(24-13)10-2-1-3-25-10/h1-6H,(H,14,16,19).
What are the key properties of 3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 361.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 4536722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).