2-(4-fluorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide

C17H14FN3O3S — CID 52904180

IUPAC2-(4-fluorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1nnc(COc2ccccc2)o1
InChIInChI=1S/C17H14FN3O3S/c18-12-6-8-14(9-7-12)25-11-15(22)19-17-21-20-16(24-17)10-23-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,21,22)
InChIKeyJJSIBEKQPUBPME-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.52
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 52904180) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID52904180
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1nnc(COc2ccccc2)o1
InChIInChI=1S/C17H14FN3O3S/c18-12-6-8-14(9-7-12)25-11-15(22)19-17-21-20-16(24-17)10-23-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,21,22)
InChIKeyJJSIBEKQPUBPME-UHFFFAOYSA-N
XLogP3.52
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 52904180) is 2-(4-fluorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide is O=C(CSc1ccc(F)cc1)Nc1nnc(COc2ccccc2)o1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is JJSIBEKQPUBPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c18-12-6-8-14(9-7-12)25-11-15(22)19-17-21-20-16(24-17)10-23-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,21,22).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 359.38 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 52904180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).