1-(4,4-dimethyl-2-propan-2-ylsulfanyl-5H-1,3-oxazol-5-yl)ethanone

C10H17NO2S — CID 12524252

IUPAC1-(4,4-dimethyl-2-propan-2-ylsulfanyl-5H-1,3-oxazol-5-yl)ethanone
SMILESCC(=O)C1OC(SC(C)C)=NC1(C)C
InChIInChI=1S/C10H17NO2S/c1-6(2)14-9-11-10(4,5)8(13-9)7(3)12/h6,8H,1-5H3
InChIKeyQDIGFQJCUKEDLL-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.25
Rot. Bonds2

About 1-(4,4-dimethyl-2-propan-2-ylsulfanyl-5H-1,3-oxazol-5-yl)ethanone

1-(4,4-dimethyl-2-propan-2-ylsulfanyl-5H-1,3-oxazol-5-yl)ethanone (PubChem CID 12524252) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-(4,4-dimethyl-2-propan-2-ylsulfanyl-5H-1,3-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4,4-dimethyl-2-propan-2-ylsulfanyl-5H-1,3-oxazol-5-yl)ethanone
PubChem CID12524252
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name1-(4,4-dimethyl-2-propan-2-ylsulfanyl-5H-1,3-oxazol-5-yl)ethanone
SMILESCC(=O)C1OC(SC(C)C)=NC1(C)C
InChIInChI=1S/C10H17NO2S/c1-6(2)14-9-11-10(4,5)8(13-9)7(3)12/h6,8H,1-5H3
InChIKeyQDIGFQJCUKEDLL-UHFFFAOYSA-N
XLogP2.25
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-2-propan-2-ylsulfanyl-5H-1,3-oxazol-5-yl)ethanone?
The IUPAC name of 1-(4,4-dimethyl-2-propan-2-ylsulfanyl-5H-1,3-oxazol-5-yl)ethanone (CID 12524252) is 1-(4,4-dimethyl-2-propan-2-ylsulfanyl-5H-1,3-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(4,4-dimethyl-2-propan-2-ylsulfanyl-5H-1,3-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(4,4-dimethyl-2-propan-2-ylsulfanyl-5H-1,3-oxazol-5-yl)ethanone is CC(=O)C1OC(SC(C)C)=NC1(C)C.
What is the InChIKey of 1-(4,4-dimethyl-2-propan-2-ylsulfanyl-5H-1,3-oxazol-5-yl)ethanone?
The InChIKey is QDIGFQJCUKEDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-6(2)14-9-11-10(4,5)8(13-9)7(3)12/h6,8H,1-5H3.
What are the key properties of 1-(4,4-dimethyl-2-propan-2-ylsulfanyl-5H-1,3-oxazol-5-yl)ethanone?
1-(4,4-dimethyl-2-propan-2-ylsulfanyl-5H-1,3-oxazol-5-yl)ethanone has a molecular weight of 215.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-2-propan-2-ylsulfanyl-5H-1,3-oxazol-5-yl)ethanone is sourced from PubChem (CID 12524252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).