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

C14H9F2N3O3S — CID 59402939

IUPAC2,6-difluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2noc(-c3ccsc3)n2)c1F
InChIInChI=1S/C14H9F2N3O3S/c15-8-1-2-9(12(16)11(8)13(17)20)21-5-10-18-14(22-19-10)7-3-4-23-6-7/h1-4,6H,5H2,(H2,17,20)
InChIKeyGVTGMFBIBOYUHN-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.75
Rot. Bonds5

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

2,6-difluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 59402939) has the molecular formula C14H9F2N3O3S and a molecular weight of 337.31 g/mol. Its IUPAC name is 2,6-difluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
PubChem CID59402939
Molecular FormulaC14H9F2N3O3S
Molecular Weight337.31 g/mol
Exact Mass337.03
IUPAC Name2,6-difluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2noc(-c3ccsc3)n2)c1F
InChIInChI=1S/C14H9F2N3O3S/c15-8-1-2-9(12(16)11(8)13(17)20)21-5-10-18-14(22-19-10)7-3-4-23-6-7/h1-4,6H,5H2,(H2,17,20)
InChIKeyGVTGMFBIBOYUHN-UHFFFAOYSA-N
XLogP2.75
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 59402939) is 2,6-difluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is NC(=O)c1c(F)ccc(OCc2noc(-c3ccsc3)n2)c1F.
What is the InChIKey of 2,6-difluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The InChIKey is GVTGMFBIBOYUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O3S/c15-8-1-2-9(12(16)11(8)13(17)20)21-5-10-18-14(22-19-10)7-3-4-23-6-7/h1-4,6H,5H2,(H2,17,20).
What are the key properties of 2,6-difluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
2,6-difluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 337.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 59402939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).