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

C16H13FN4O2S — CID 3669096

IUPAC2-fluoro-N-[[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nnc(SCc2cccnc2)o1)c1ccccc1F
InChIInChI=1S/C16H13FN4O2S/c17-13-6-2-1-5-12(13)15(22)19-9-14-20-21-16(23-14)24-10-11-4-3-7-18-8-11/h1-8H,9-10H2,(H,19,22)
InChIKeyLUPPAHQDKFJRQC-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.83
Rot. Bonds6

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

2-fluoro-N-[[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 3669096) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-fluoro-N-[[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID3669096
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC Name2-fluoro-N-[[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nnc(SCc2cccnc2)o1)c1ccccc1F
InChIInChI=1S/C16H13FN4O2S/c17-13-6-2-1-5-12(13)15(22)19-9-14-20-21-16(23-14)24-10-11-4-3-7-18-8-11/h1-8H,9-10H2,(H,19,22)
InChIKeyLUPPAHQDKFJRQC-UHFFFAOYSA-N
XLogP2.83
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 3669096) is 2-fluoro-N-[[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is O=C(NCc1nnc(SCc2cccnc2)o1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is LUPPAHQDKFJRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2S/c17-13-6-2-1-5-12(13)15(22)19-9-14-20-21-16(23-14)24-10-11-4-3-7-18-8-11/h1-8H,9-10H2,(H,19,22).
What are the key properties of 2-fluoro-N-[[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
2-fluoro-N-[[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 344.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 3669096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).