N-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide

C14H10N4O4S — CID 16917352

IUPACN-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)o1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C14H10N4O4S/c19-13(10-6-7-12(23-10)18(20)21)15-14-17-16-11(22-14)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17,19)
InChIKeyHEYIZZKTNTZAFN-UHFFFAOYSA-N
MW330.33 g/mol
LogP2.88
Rot. Bonds5

About N-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide

N-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide (PubChem CID 16917352) has the molecular formula C14H10N4O4S and a molecular weight of 330.33 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide
PubChem CID16917352
Molecular FormulaC14H10N4O4S
Molecular Weight330.33 g/mol
Exact Mass330.04
IUPAC NameN-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)o1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C14H10N4O4S/c19-13(10-6-7-12(23-10)18(20)21)15-14-17-16-11(22-14)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17,19)
InChIKeyHEYIZZKTNTZAFN-UHFFFAOYSA-N
XLogP2.88
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.88
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

N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 16917522
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 43974276
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 16917381
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide
CID 16917365
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 7244049
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 43976962
5-chloro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 43973938
N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide
CID 43974021
2-[3-[(5-nitrothiophene-2-carbonyl)amino]phenyl]acetic acid
CID 65345874
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
CID 73340011
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide
CID 43973168
5-nitro-N-phenacylthiophene-2-carboxamide
CID 106737184

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide (CID 16917352) is N-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide is O=C(Nc1nnc(Cc2ccccc2)o1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide?
The InChIKey is HEYIZZKTNTZAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O4S/c19-13(10-6-7-12(23-10)18(20)21)15-14-17-16-11(22-14)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,17,19).
What are the key properties of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide?
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 16917352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).