N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide

C13H6Cl2N4O4S — CID 43976962

IUPACN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C13H6Cl2N4O4S/c14-6-1-2-7(8(15)5-6)12-17-18-13(23-12)16-11(20)9-3-4-10(24-9)19(21)22/h1-5H,(H,16,18,20)
InChIKeyXJBARLDIBIJAKX-UHFFFAOYSA-N
MW385.19 g/mol
LogP4.27
Rot. Bonds4

About N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide

N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide (PubChem CID 43976962) has the molecular formula C13H6Cl2N4O4S and a molecular weight of 385.19 g/mol. Its IUPAC name is N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
PubChem CID43976962
Molecular FormulaC13H6Cl2N4O4S
Molecular Weight385.19 g/mol
Exact Mass383.95
IUPAC NameN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C13H6Cl2N4O4S/c14-6-1-2-7(8(15)5-6)12-17-18-13(23-12)16-11(20)9-3-4-10(24-9)19(21)22/h1-5H,(H,16,18,20)
InChIKeyXJBARLDIBIJAKX-UHFFFAOYSA-N
XLogP4.27
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.19
LogP ≤ 54.27
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-bromo-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 43976895
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]-3,5-dinitrobenzamide
CID 43977031
5-bromo-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 16821719
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 43976965
N-(2-bromo-5-chlorophenyl)-5-nitrothiophene-2-carboxamide
CID 113266436
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide
CID 16917352
4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134909786
2,5-dichloro-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3546448
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide
CID 43977085
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide (CID 43976962) is N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide is O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The InChIKey is XJBARLDIBIJAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2N4O4S/c14-6-1-2-7(8(15)5-6)12-17-18-13(23-12)16-11(20)9-3-4-10(24-9)19(21)22/h1-5H,(H,16,18,20).
What are the key properties of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide?
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide has a molecular weight of 385.19 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 43976962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).