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

C16H19FN4O3S — CID 8557403

IUPACN-(4-fluorophenyl)-2-[[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(CCN2CCOCC2)o1)Nc1ccc(F)cc1
InChIInChI=1S/C16H19FN4O3S/c17-12-1-3-13(4-2-12)18-14(22)11-25-16-20-19-15(24-16)5-6-21-7-9-23-10-8-21/h1-4H,5-11H2,(H,18,22)
InChIKeyJRJFZPXSYHSEKQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.81
Rot. Bonds7

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

N-(4-fluorophenyl)-2-[[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 8557403) has the molecular formula C16H19FN4O3S and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID8557403
Molecular FormulaC16H19FN4O3S
Molecular Weight366.42 g/mol
Exact Mass366.12
IUPAC NameN-(4-fluorophenyl)-2-[[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(CCN2CCOCC2)o1)Nc1ccc(F)cc1
InChIInChI=1S/C16H19FN4O3S/c17-12-1-3-13(4-2-12)18-14(22)11-25-16-20-19-15(24-16)5-6-21-7-9-23-10-8-21/h1-4H,5-11H2,(H,18,22)
InChIKeyJRJFZPXSYHSEKQ-UHFFFAOYSA-N
XLogP1.81
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 8557403) is N-(4-fluorophenyl)-2-[[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(CCN2CCOCC2)o1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is JRJFZPXSYHSEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3S/c17-12-1-3-13(4-2-12)18-14(22)11-25-16-20-19-15(24-16)5-6-21-7-9-23-10-8-21/h1-4H,5-11H2,(H,18,22).
What are the key properties of N-(4-fluorophenyl)-2-[[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-fluorophenyl)-2-[[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 8557403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).