1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone

C12H11NO2S — CID 106923946

IUPAC1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
SMILESCc1cccc(C(=O)CSc2ncco2)c1
InChIInChI=1S/C12H11NO2S/c1-9-3-2-4-10(7-9)11(14)8-16-12-13-5-6-15-12/h2-7H,8H2,1H3
InChIKeyGIEPUXCODJCUIV-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.96
Rot. Bonds4

About 1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone

1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone (PubChem CID 106923946) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
PubChem CID106923946
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
SMILESCc1cccc(C(=O)CSc2ncco2)c1
InChIInChI=1S/C12H11NO2S/c1-9-3-2-4-10(7-9)11(14)8-16-12-13-5-6-15-12/h2-7H,8H2,1H3
InChIKeyGIEPUXCODJCUIV-UHFFFAOYSA-N
XLogP2.96
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106924013
1-(3,4-dimethylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923942
2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 106924031
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-methylphenyl)ethanone
CID 55058139
1-(3-methylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 43802334
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
CID 43802304
S-[2-(3-methylphenyl)-2-oxoethyl] ethanethioate
CID 143157663
1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone
CID 43802265
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
CID 865831
1-(2,5-dichlorothiophen-3-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone
CID 106923930
1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520257
2-[dichloro(fluoro)methyl]sulfanyl-1-(3-methylphenyl)ethanone
CID 14144959

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone (CID 106923946) is 1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone is Cc1cccc(C(=O)CSc2ncco2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
The InChIKey is GIEPUXCODJCUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-9-3-2-4-10(7-9)11(14)8-16-12-13-5-6-15-12/h2-7H,8H2,1H3.
What are the key properties of 1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone?
1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone has a molecular weight of 233.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 106923946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).