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

C18H20F2N4O3S — CID 7502448

IUPAC2,6-difluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCC1CCN(C(=O)CSc2nnc(CNC(=O)c3c(F)cccc3F)o2)CC1
InChIInChI=1S/C18H20F2N4O3S/c1-11-5-7-24(8-6-11)15(25)10-28-18-23-22-14(27-18)9-21-17(26)16-12(19)3-2-4-13(16)20/h2-4,11H,5-10H2,1H3,(H,21,26)
InChIKeyBUVBYRVBTXLOOV-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.63
Rot. Bonds6

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

2,6-difluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 7502448) has the molecular formula C18H20F2N4O3S and a molecular weight of 410.45 g/mol. Its IUPAC name is 2,6-difluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID7502448
Molecular FormulaC18H20F2N4O3S
Molecular Weight410.45 g/mol
Exact Mass410.12
IUPAC Name2,6-difluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCC1CCN(C(=O)CSc2nnc(CNC(=O)c3c(F)cccc3F)o2)CC1
InChIInChI=1S/C18H20F2N4O3S/c1-11-5-7-24(8-6-11)15(25)10-28-18-23-22-14(27-18)9-21-17(26)16-12(19)3-2-4-13(16)20/h2-4,11H,5-10H2,1H3,(H,21,26)
InChIKeyBUVBYRVBTXLOOV-UHFFFAOYSA-N
XLogP2.63
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 7502448) is 2,6-difluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is CC1CCN(C(=O)CSc2nnc(CNC(=O)c3c(F)cccc3F)o2)CC1.
What is the InChIKey of 2,6-difluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is BUVBYRVBTXLOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O3S/c1-11-5-7-24(8-6-11)15(25)10-28-18-23-22-14(27-18)9-21-17(26)16-12(19)3-2-4-13(16)20/h2-4,11H,5-10H2,1H3,(H,21,26).
What are the key properties of 2,6-difluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
2,6-difluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 410.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 7502448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).