2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide

C17H19ClN4O4S — CID 3304199

IUPAC2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)N2CCCC2)o1
InChIInChI=1S/C17H19ClN4O4S/c18-12-3-5-13(6-4-12)25-10-14(23)19-9-15-20-21-17(26-15)27-11-16(24)22-7-1-2-8-22/h3-6H,1-2,7-11H2,(H,19,23)
InChIKeyIVZZGKGCEUHMED-UHFFFAOYSA-N
MW410.88 g/mol
LogP2.13
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide (PubChem CID 3304199) has the molecular formula C17H19ClN4O4S and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
PubChem CID3304199
Molecular FormulaC17H19ClN4O4S
Molecular Weight410.88 g/mol
Exact Mass410.08
IUPAC Name2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)N2CCCC2)o1
InChIInChI=1S/C17H19ClN4O4S/c18-12-3-5-13(6-4-12)25-10-14(23)19-9-15-20-21-17(26-15)27-11-16(24)22-7-1-2-8-22/h3-6H,1-2,7-11H2,(H,19,23)
InChIKeyIVZZGKGCEUHMED-UHFFFAOYSA-N
XLogP2.13
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide (CID 3304199) is 2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide is O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)N2CCCC2)o1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The InChIKey is IVZZGKGCEUHMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O4S/c18-12-3-5-13(6-4-12)25-10-14(23)19-9-15-20-21-17(26-15)27-11-16(24)22-7-1-2-8-22/h3-6H,1-2,7-11H2,(H,19,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide has a molecular weight of 410.88 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 3304199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).