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

C16H16F2N4O4S — CID 7205293

IUPAC2,6-difluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nnc(SCC(=O)N2CCOCC2)o1)c1c(F)cccc1F
InChIInChI=1S/C16H16F2N4O4S/c17-10-2-1-3-11(18)14(10)15(24)19-8-12-20-21-16(26-12)27-9-13(23)22-4-6-25-7-5-22/h1-3H,4-9H2,(H,19,24)
InChIKeyMKVBDVWKDMLFIZ-UHFFFAOYSA-N
MW398.39 g/mol
LogP1.23
Rot. Bonds6

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

2,6-difluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 7205293) has the molecular formula C16H16F2N4O4S and a molecular weight of 398.39 g/mol. Its IUPAC name is 2,6-difluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID7205293
Molecular FormulaC16H16F2N4O4S
Molecular Weight398.39 g/mol
Exact Mass398.09
IUPAC Name2,6-difluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nnc(SCC(=O)N2CCOCC2)o1)c1c(F)cccc1F
InChIInChI=1S/C16H16F2N4O4S/c17-10-2-1-3-11(18)14(10)15(24)19-8-12-20-21-16(26-12)27-9-13(23)22-4-6-25-7-5-22/h1-3H,4-9H2,(H,19,24)
InChIKeyMKVBDVWKDMLFIZ-UHFFFAOYSA-N
XLogP1.23
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 7205293) is 2,6-difluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is O=C(NCc1nnc(SCC(=O)N2CCOCC2)o1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is MKVBDVWKDMLFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O4S/c17-10-2-1-3-11(18)14(10)15(24)19-8-12-20-21-16(26-12)27-9-13(23)22-4-6-25-7-5-22/h1-3H,4-9H2,(H,19,24).
What are the key properties of 2,6-difluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
2,6-difluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 398.39 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 7205293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).