2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone

C20H19ClN2O2S — CID 7534155

IUPAC2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone
SMILESCCc1ccc(CC)c(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C20H19ClN2O2S/c1-3-13-8-9-14(4-2)17(10-13)18(24)12-26-20-23-22-19(25-20)15-6-5-7-16(21)11-15/h5-11H,3-4,12H2,1-2H3
InChIKeyUBFAFSIHNZZRBH-UHFFFAOYSA-N
MW386.90 g/mol
LogP5.49
Rot. Bonds7

About 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone

2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone (PubChem CID 7534155) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone
PubChem CID7534155
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone
SMILESCCc1ccc(CC)c(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C20H19ClN2O2S/c1-3-13-8-9-14(4-2)17(10-13)18(24)12-26-20-23-22-19(25-20)15-6-5-7-16(21)11-15/h5-11H,3-4,12H2,1-2H3
InChIKeyUBFAFSIHNZZRBH-UHFFFAOYSA-N
XLogP5.49
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.90
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone with MolForge

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Related Compounds

1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 7459222
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-ethylphenyl)ethanone
CID 7661181
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-dimethylphenyl)ethanone
CID 3909064
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 7661213
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 861507
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylacetamide
CID 7661190
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 43952642
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-pentan-2-yl]acetamide
CID 7533972
N-(3-chlorophenyl)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5018511
N-benzyl-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1139618
[4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol
CID 110005231
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7534203

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone?
The IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone (CID 7534155) is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone is CCc1ccc(CC)c(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)c1.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone?
The InChIKey is UBFAFSIHNZZRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-3-13-8-9-14(4-2)17(10-13)18(24)12-26-20-23-22-19(25-20)15-6-5-7-16(21)11-15/h5-11H,3-4,12H2,1-2H3.
What are the key properties of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone?
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone has a molecular weight of 386.90 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone is sourced from PubChem (CID 7534155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).