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

C17H14ClN3O2S — CID 2979405

IUPAC2-[[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1nnc(Cc2ccc(Cl)cc2)o1)Nc1ccccc1
InChIInChI=1S/C17H14ClN3O2S/c18-13-8-6-12(7-9-13)10-16-20-21-17(23-16)24-11-15(22)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,22)
InChIKeyAKANUHLYZGTTDQ-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.04
Rot. Bonds6

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

2-[[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide (PubChem CID 2979405) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-[[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
PubChem CID2979405
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name2-[[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1nnc(Cc2ccc(Cl)cc2)o1)Nc1ccccc1
InChIInChI=1S/C17H14ClN3O2S/c18-13-8-6-12(7-9-13)10-16-20-21-17(23-16)24-11-15(22)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,22)
InChIKeyAKANUHLYZGTTDQ-UHFFFAOYSA-N
XLogP4.04
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
CID 2966728
3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 992163
3-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide
CID 992164
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 1259963
N-(2-Chlorophenyl)-2-{[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-YL]sulfanyl}acetamide
CID 7444350
N-(4-acetylphenyl)-2-((5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 1124643
2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(2,4-dimethylphenyl)acetamide
CID 375293
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-(methylsulfanyl)phenyl]acetamide
CID 3164834
2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(o-tolyl)acetamide
CID 375283
2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(p-tolyl)acetamide
CID 375285
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 1114741
N-(2-Chloro-phenyl)-2-(5-cyclohexyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 1170483

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide (CID 2979405) is 2-[[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide is O=C(CSc1nnc(Cc2ccc(Cl)cc2)o1)Nc1ccccc1.
What is the InChIKey of 2-[[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is AKANUHLYZGTTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c18-13-8-6-12(7-9-13)10-16-20-21-17(23-16)24-11-15(22)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,22).
What are the key properties of 2-[[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
2-[[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 359.84 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 2979405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).