1-(2-ethylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone

C8H13NO2S — CID 12524250

IUPAC1-(2-ethylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone
SMILESCCSC1=NC(C)C(C(C)=O)O1
InChIInChI=1S/C8H13NO2S/c1-4-12-8-9-5(2)7(11-8)6(3)10/h5,7H,4H2,1-3H3
InChIKeyHXMAGHUOTHVAJN-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.47
Rot. Bonds2

About 1-(2-ethylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone

1-(2-ethylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone (PubChem CID 12524250) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-(2-ethylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone
PubChem CID12524250
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name1-(2-ethylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone
SMILESCCSC1=NC(C)C(C(C)=O)O1
InChIInChI=1S/C8H13NO2S/c1-4-12-8-9-5(2)7(11-8)6(3)10/h5,7H,4H2,1-3H3
InChIKeyHXMAGHUOTHVAJN-UHFFFAOYSA-N
XLogP1.47
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone?
The IUPAC name of 1-(2-ethylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone (CID 12524250) is 1-(2-ethylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-ethylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(2-ethylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone is CCSC1=NC(C)C(C(C)=O)O1.
What is the InChIKey of 1-(2-ethylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone?
The InChIKey is HXMAGHUOTHVAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-4-12-8-9-5(2)7(11-8)6(3)10/h5,7H,4H2,1-3H3.
What are the key properties of 1-(2-ethylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone?
1-(2-ethylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone has a molecular weight of 187.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazol-5-yl)ethanone is sourced from PubChem (CID 12524250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).