2,6-difluoro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C14H9F2N3O2S — CID 162506097

IUPAC2,6-difluoro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESO=C(NCc1nnc(-c2cccs2)o1)c1c(F)cccc1F
InChIInChI=1S/C14H9F2N3O2S/c15-8-3-1-4-9(16)12(8)13(20)17-7-11-18-19-14(21-11)10-5-2-6-22-10/h1-6H,7H2,(H,17,20)
InChIKeyNNEIJNJUNXZEIN-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.01
Rot. Bonds4

About 2,6-difluoro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

2,6-difluoro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 162506097) has the molecular formula C14H9F2N3O2S and a molecular weight of 321.31 g/mol. Its IUPAC name is 2,6-difluoro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID162506097
Molecular FormulaC14H9F2N3O2S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC Name2,6-difluoro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESO=C(NCc1nnc(-c2cccs2)o1)c1c(F)cccc1F
InChIInChI=1S/C14H9F2N3O2S/c15-8-3-1-4-9(16)12(8)13(20)17-7-11-18-19-14(21-11)10-5-2-6-22-10/h1-6H,7H2,(H,17,20)
InChIKeyNNEIJNJUNXZEIN-UHFFFAOYSA-N
XLogP3.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 162506097) is 2,6-difluoro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is O=C(NCc1nnc(-c2cccs2)o1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is NNEIJNJUNXZEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O2S/c15-8-3-1-4-9(16)12(8)13(20)17-7-11-18-19-14(21-11)10-5-2-6-22-10/h1-6H,7H2,(H,17,20).
What are the key properties of 2,6-difluoro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
2,6-difluoro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 321.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 162506097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).