2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone

C20H19NO5S — CID 59093125

IUPAC2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone
SMILESCS(=O)(=O)CC(=O)c1ccc(OCCc2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H19NO5S/c1-27(23,24)14-19(22)15-7-9-18(10-8-15)25-12-11-17-13-26-20(21-17)16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3
InChIKeyJHJZQUAQGOJOCW-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.19
Rot. Bonds8

About 2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone

2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone (PubChem CID 59093125) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone
PubChem CID59093125
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone
SMILESCS(=O)(=O)CC(=O)c1ccc(OCCc2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H19NO5S/c1-27(23,24)14-19(22)15-7-9-18(10-8-15)25-12-11-17-13-26-20(21-17)16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3
InChIKeyJHJZQUAQGOJOCW-UHFFFAOYSA-N
XLogP3.19
TPSA86.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanehydrazide
CID 67706985
N-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide
CID 67706926
2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid
CID 142216313
2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
CID 112787746
2-[(2-benzoylphenyl)methyl]-3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 143294203
3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55568894
2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid
CID 23589987
[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl methanimidothioate
CID 142046622
2-phenyl-4-propyl-1,3-oxazole
CID 23537835
4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
CID 18617241
N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
(2-phenyl-1,3-oxazol-4-yl)methyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 16603141

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone (CID 59093125) is 2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone is CS(=O)(=O)CC(=O)c1ccc(OCCc2coc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone?
The InChIKey is JHJZQUAQGOJOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-27(23,24)14-19(22)15-7-9-18(10-8-15)25-12-11-17-13-26-20(21-17)16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3.
What are the key properties of 2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone?
2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone has a molecular weight of 385.44 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 59093125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).