3-(propan-2-ylsulfonylmethyl)-1,2-oxazole

C7H11NO3S — CID 20761928

IUPAC3-(propan-2-ylsulfonylmethyl)-1,2-oxazole
SMILESCC(C)S(=O)(=O)Cc1ccon1
InChIInChI=1S/C7H11NO3S/c1-6(2)12(9,10)5-7-3-4-11-8-7/h3-4,6H,5H2,1-2H3
InChIKeyBUUDVLUVUPGZHN-UHFFFAOYSA-N
MW189.24 g/mol
LogP1.00
Rot. Bonds3

About 3-(propan-2-ylsulfonylmethyl)-1,2-oxazole

3-(propan-2-ylsulfonylmethyl)-1,2-oxazole (PubChem CID 20761928) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-(propan-2-ylsulfonylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(propan-2-ylsulfonylmethyl)-1,2-oxazole
PubChem CID20761928
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name3-(propan-2-ylsulfonylmethyl)-1,2-oxazole
SMILESCC(C)S(=O)(=O)Cc1ccon1
InChIInChI=1S/C7H11NO3S/c1-6(2)12(9,10)5-7-3-4-11-8-7/h3-4,6H,5H2,1-2H3
InChIKeyBUUDVLUVUPGZHN-UHFFFAOYSA-N
XLogP1.00
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Oxazol-3-ylmethanesulfonyl chloride
CID 54594458
(1,2-Oxazol-3-yl)methanesulfonamide
CID 69615604
(1,2-Oxazol-3-yl)methanethiol
CID 15646083
N-methyl-1-(1,2-oxazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)methanesulfonamide
CID 71997615
(2R)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol
CID 99832733
(2S)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol
CID 99832734
1,1,1-Trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol
CID 121523827
(1,2-Oxazol-3-yl)methanesulfonyl fluoride
CID 122236036
3-(Trifluoromethylsulfonylmethyl)-1,2-oxazole
CID 130685315
2-((Isoxazol-3-ylmethyl)thio)ethanamine
CID 12923417
3-[(2-Aminoethyl)thiomethyl]isoxazole hydrobromide
CID 20550203
Methylimino(oxo)methane;2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine
CID 20557857

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfonylmethyl)-1,2-oxazole?
The IUPAC name of 3-(propan-2-ylsulfonylmethyl)-1,2-oxazole (CID 20761928) is 3-(propan-2-ylsulfonylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-(propan-2-ylsulfonylmethyl)-1,2-oxazole?
The canonical SMILES for 3-(propan-2-ylsulfonylmethyl)-1,2-oxazole is CC(C)S(=O)(=O)Cc1ccon1.
What is the InChIKey of 3-(propan-2-ylsulfonylmethyl)-1,2-oxazole?
The InChIKey is BUUDVLUVUPGZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-6(2)12(9,10)5-7-3-4-11-8-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-(propan-2-ylsulfonylmethyl)-1,2-oxazole?
3-(propan-2-ylsulfonylmethyl)-1,2-oxazole has a molecular weight of 189.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfonylmethyl)-1,2-oxazole is sourced from PubChem (CID 20761928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).