2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone

C14H15NO2S — CID 106924031

IUPAC2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CSc2ncco2)c(C)c1
InChIInChI=1S/C14H15NO2S/c1-9-6-10(2)13(11(3)7-9)12(16)8-18-14-15-4-5-17-14/h4-7H,8H2,1-3H3
InChIKeyUKRYTQDTECHMDX-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.57
Rot. Bonds4

About 2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone

2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 106924031) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID106924031
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CSc2ncco2)c(C)c1
InChIInChI=1S/C14H15NO2S/c1-9-6-10(2)13(11(3)7-9)12(16)8-18-14-15-4-5-17-14/h4-7H,8H2,1-3H3
InChIKeyUKRYTQDTECHMDX-UHFFFAOYSA-N
XLogP3.57
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone (CID 106924031) is 2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CSc2ncco2)c(C)c1.
What is the InChIKey of 2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is UKRYTQDTECHMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9-6-10(2)13(11(3)7-9)12(16)8-18-14-15-4-5-17-14/h4-7H,8H2,1-3H3.
What are the key properties of 2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone?
2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 261.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 106924031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).