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

C15H12N4O4S — CID 7244049

IUPACN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])s3)o2)c(C)c1
InChIInChI=1S/C15H12N4O4S/c1-8-3-4-10(9(2)7-8)14-17-18-15(23-14)16-13(20)11-5-6-12(24-11)19(21)22/h3-7H,1-2H3,(H,16,18,20)
InChIKeyRPZGOARIDWGTRH-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.58
Rot. Bonds4

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

N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide (PubChem CID 7244049) has the molecular formula C15H12N4O4S and a molecular weight of 344.35 g/mol. Its IUPAC name is N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
PubChem CID7244049
Molecular FormulaC15H12N4O4S
Molecular Weight344.35 g/mol
Exact Mass344.06
IUPAC NameN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])s3)o2)c(C)c1
InChIInChI=1S/C15H12N4O4S/c1-8-3-4-10(9(2)7-8)14-17-18-15(23-14)16-13(20)11-5-6-12(24-11)19(21)22/h3-7H,1-2H3,(H,16,18,20)
InChIKeyRPZGOARIDWGTRH-UHFFFAOYSA-N
XLogP3.58
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.58
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-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 43976962
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide
CID 8608535
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 43974276
2-chloro-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821770
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 7533207
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 7244051
3-chloro-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 16821785
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-nitrothiophene-2-carboxamide
CID 16917352
N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide
CID 16854540
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121044015
N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 16917522
N-(3-methyl-1,2-oxazol-5-yl)-5-nitrothiophene-2-carboxamide
CID 45284591

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide (CID 7244049) is N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide is Cc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])s3)o2)c(C)c1.
What is the InChIKey of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The InChIKey is RPZGOARIDWGTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S/c1-8-3-4-10(9(2)7-8)14-17-18-15(23-14)16-13(20)11-5-6-12(24-11)19(21)22/h3-7H,1-2H3,(H,16,18,20).
What are the key properties of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide?
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 3.58, 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-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 7244049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).