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

C14H9F2N3O2S — CID 73167766

IUPAC3,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
SMILESCc1noc(-c2sccc2NC(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H9F2N3O2S/c1-7-17-14(21-19-7)12-11(4-5-22-12)18-13(20)8-2-3-9(15)10(16)6-8/h2-6H,1H3,(H,18,20)
InChIKeyNIESCZKBOYLWDD-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.64
Rot. Bonds3

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

3,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide (PubChem CID 73167766) has the molecular formula C14H9F2N3O2S and a molecular weight of 321.31 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
PubChem CID73167766
Molecular FormulaC14H9F2N3O2S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC Name3,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
SMILESCc1noc(-c2sccc2NC(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H9F2N3O2S/c1-7-17-14(21-19-7)12-11(4-5-22-12)18-13(20)8-2-3-9(15)10(16)6-8/h2-6H,1H3,(H,18,20)
InChIKeyNIESCZKBOYLWDD-UHFFFAOYSA-N
XLogP3.64
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide (CID 73167766) is 3,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide is Cc1noc(-c2sccc2NC(=O)c2ccc(F)c(F)c2)n1.
What is the InChIKey of 3,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide?
The InChIKey is NIESCZKBOYLWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O2S/c1-7-17-14(21-19-7)12-11(4-5-22-12)18-13(20)8-2-3-9(15)10(16)6-8/h2-6H,1H3,(H,18,20).
What are the key properties of 3,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide?
3,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide has a molecular weight of 321.31 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide is sourced from PubChem (CID 73167766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).