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

C20H20N2O2S — CID 7459222

IUPAC1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCCc1ccc(CC)c(C(=O)CSc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H20N2O2S/c1-3-14-10-11-15(4-2)17(12-14)18(23)13-25-20-22-21-19(24-20)16-8-6-5-7-9-16/h5-12H,3-4,13H2,1-2H3
InChIKeyXMXRLUJUQRAKBI-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.84
Rot. Bonds7

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

1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 7459222) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID7459222
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCCc1ccc(CC)c(C(=O)CSc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H20N2O2S/c1-3-14-10-11-15(4-2)17(12-14)18(23)13-25-20-22-21-19(24-20)16-8-6-5-7-9-16/h5-12H,3-4,13H2,1-2H3
InChIKeyXMXRLUJUQRAKBI-UHFFFAOYSA-N
XLogP4.84
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-diethylphenyl)ethanone
CID 7534155
N-(3-ethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4541502
1-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 2340789
1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone
CID 7915582
1-(4-methylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 828968
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-ethylphenyl)ethanone
CID 7661181
1-(2-chlorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7816154
1-(2-fluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 861626
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
CID 865831
1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 7861252
methyl 4-[2,5-dimethyl-3-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrol-1-yl]benzoate
CID 4812109
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 110656740

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 7459222) is 1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is CCc1ccc(CC)c(C(=O)CSc2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is XMXRLUJUQRAKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-3-14-10-11-15(4-2)17(12-14)18(23)13-25-20-22-21-19(24-20)16-8-6-5-7-9-16/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 352.46 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 7459222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).