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

C16H15N3O2S — CID 16917684

IUPACN-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(Cc2nnc(NC(=O)c3cccs3)o2)c(C)c1
InChIInChI=1S/C16H15N3O2S/c1-10-5-6-12(11(2)8-10)9-14-18-19-16(21-14)17-15(20)13-4-3-7-22-13/h3-8H,9H2,1-2H3,(H,17,19,20)
InChIKeyIBWFXWUHENINGS-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.59
Rot. Bonds4

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

N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 16917684) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
PubChem CID16917684
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(Cc2nnc(NC(=O)c3cccs3)o2)c(C)c1
InChIInChI=1S/C16H15N3O2S/c1-10-5-6-12(11(2)8-10)9-14-18-19-16(21-14)17-15(20)13-4-3-7-22-13/h3-8H,9H2,1-2H3,(H,17,19,20)
InChIKeyIBWFXWUHENINGS-UHFFFAOYSA-N
XLogP3.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 16917667
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 16917816
2-(2,5-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 16917814
2-(3,4-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 16917815
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 43976618
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 16917746
N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42109993
4-[butyl(ethyl)sulfamoyl]-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 16917738
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
N-[4-methyl-2-[(2-thiophen-2-ylacetyl)amino]phenyl]thiophene-2-carboxamide
CID 3164945
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 48585499
N-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide
CID 47033342

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (CID 16917684) is N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is Cc1ccc(Cc2nnc(NC(=O)c3cccs3)o2)c(C)c1.
What is the InChIKey of N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is IBWFXWUHENINGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-5-6-12(11(2)8-10)9-14-18-19-16(21-14)17-15(20)13-4-3-7-22-13/h3-8H,9H2,1-2H3,(H,17,19,20).
What are the key properties of N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 16917684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).