4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide

C16H15N3O2S — CID 53009260

IUPAC4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3noc(C)n3)sc2C)cc1
InChIInChI=1S/C16H15N3O2S/c1-9-4-6-12(7-5-9)16(20)18-13-8-14(22-10(13)2)15-17-11(3)21-19-15/h4-8H,1-3H3,(H,18,20)
InChIKeyULYWEYLGXGERBS-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.98
Rot. Bonds3

About 4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide

4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide (PubChem CID 53009260) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
PubChem CID53009260
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3noc(C)n3)sc2C)cc1
InChIInChI=1S/C16H15N3O2S/c1-9-4-6-12(7-5-9)16(20)18-13-8-14(22-10(13)2)15-17-11(3)21-19-15/h4-8H,1-3H3,(H,18,20)
InChIKeyULYWEYLGXGERBS-UHFFFAOYSA-N
XLogP3.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide (CID 53009260) is 4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide is Cc1ccc(C(=O)Nc2cc(-c3noc(C)n3)sc2C)cc1.
What is the InChIKey of 4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
The InChIKey is ULYWEYLGXGERBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-9-4-6-12(7-5-9)16(20)18-13-8-14(22-10(13)2)15-17-11(3)21-19-15/h4-8H,1-3H3,(H,18,20).
What are the key properties of 4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide has a molecular weight of 313.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide is sourced from PubChem (CID 53009260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).