2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-phenylacetamide

C18H16ClN3O2S — CID 7940615

IUPAC2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1
InChIInChI=1S/C18H16ClN3O2S/c1-2-22(15-6-4-3-5-7-15)16(23)12-25-18-21-20-17(24-18)13-8-10-14(19)11-9-13/h3-11H,2,12H2,1H3
InChIKeyUXTPYWHBYXVNBP-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.54
Rot. Bonds6

About 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-phenylacetamide

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-phenylacetamide (PubChem CID 7940615) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-phenylacetamide
PubChem CID7940615
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1
InChIInChI=1S/C18H16ClN3O2S/c1-2-22(15-6-4-3-5-7-15)16(23)12-25-18-21-20-17(24-18)13-8-10-14(19)11-9-13/h3-11H,2,12H2,1H3
InChIKeyUXTPYWHBYXVNBP-UHFFFAOYSA-N
XLogP4.54
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-Phenyl-1,3,4-oxadiazol-2-yl)thio]-1-(2,2,4,6-tetramethyl-1-quinolinyl)ethanone
CID 1167733
1-(3,4-dihydroquinolin-1(2H)-yl)-2-((5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
CID 2155723
2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
CID 2966728
2-[[5-[4-(Dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
CID 70681691
N-m-Tolyl-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 645555
N-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 776426
2-[[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(1-piperidinyl)ethanone
CID 855628
N-(2-fluorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 891159
1-(3,4-dihydroquinolin-1(2H)-yl)-2-((5-(o-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
CID 1121266
2-{[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
CID 1253074
2-[(4-chlorobenzyl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 1930455
N-(4-fluorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2595601

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-phenylacetamide (CID 7940615) is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-phenylacetamide is CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-phenylacetamide?
The InChIKey is UXTPYWHBYXVNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-2-22(15-6-4-3-5-7-15)16(23)12-25-18-21-20-17(24-18)13-8-10-14(19)11-9-13/h3-11H,2,12H2,1H3.
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-phenylacetamide?
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-phenylacetamide has a molecular weight of 373.87 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 7940615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).