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

C15H13N3O2S — CID 86264848

IUPAC2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
SMILESCc1noc(-c2ccsc2NC(=O)c2ccccc2C)n1
InChIInChI=1S/C15H13N3O2S/c1-9-5-3-4-6-11(9)13(19)17-15-12(7-8-21-15)14-16-10(2)18-20-14/h3-8H,1-2H3,(H,17,19)
InChIKeyLOENVBOTOBXPJQ-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.67
Rot. Bonds3

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

2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide (PubChem CID 86264848) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
PubChem CID86264848
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
SMILESCc1noc(-c2ccsc2NC(=O)c2ccccc2C)n1
InChIInChI=1S/C15H13N3O2S/c1-9-5-3-4-6-11(9)13(19)17-15-12(7-8-21-15)14-16-10(2)18-20-14/h3-8H,1-2H3,(H,17,19)
InChIKeyLOENVBOTOBXPJQ-UHFFFAOYSA-N
XLogP3.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide (CID 86264848) is 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide is Cc1noc(-c2ccsc2NC(=O)c2ccccc2C)n1.
What is the InChIKey of 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide?
The InChIKey is LOENVBOTOBXPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-5-3-4-6-11(9)13(19)17-15-12(7-8-21-15)14-16-10(2)18-20-14/h3-8H,1-2H3,(H,17,19).
What are the key properties of 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide?
2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide has a molecular weight of 299.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide is sourced from PubChem (CID 86264848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).