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

C15H11F2N3O2S — CID 91814341

IUPAC2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
SMILESCc1noc(-c2ccsc2NC(=O)Cc2ccc(F)cc2F)n1
InChIInChI=1S/C15H11F2N3O2S/c1-8-18-14(22-20-8)11-4-5-23-15(11)19-13(21)6-9-2-3-10(16)7-12(9)17/h2-5,7H,6H2,1H3,(H,19,21)
InChIKeyNOMYKNBSXDFQAA-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.57
Rot. Bonds4

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

2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide (PubChem CID 91814341) has the molecular formula C15H11F2N3O2S and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
PubChem CID91814341
Molecular FormulaC15H11F2N3O2S
Molecular Weight335.34 g/mol
Exact Mass335.05
IUPAC Name2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
SMILESCc1noc(-c2ccsc2NC(=O)Cc2ccc(F)cc2F)n1
InChIInChI=1S/C15H11F2N3O2S/c1-8-18-14(22-20-8)11-4-5-23-15(11)19-13(21)6-9-2-3-10(16)7-12(9)17/h2-5,7H,6H2,1H3,(H,19,21)
InChIKeyNOMYKNBSXDFQAA-UHFFFAOYSA-N
XLogP3.57
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide (CID 91814341) is 2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide is Cc1noc(-c2ccsc2NC(=O)Cc2ccc(F)cc2F)n1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide?
The InChIKey is NOMYKNBSXDFQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2S/c1-8-18-14(22-20-8)11-4-5-23-15(11)19-13(21)6-9-2-3-10(16)7-12(9)17/h2-5,7H,6H2,1H3,(H,19,21).
What are the key properties of 2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide?
2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide has a molecular weight of 335.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide is sourced from PubChem (CID 91814341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).