2-butylsulfonyl-1,3-oxazole

C7H11NO3S — CID 155801702

IUPAC2-butylsulfonyl-1,3-oxazole
SMILESCCCCS(=O)(=O)c1ncco1
InChIInChI=1S/C7H11NO3S/c1-2-3-6-12(9,10)7-8-4-5-11-7/h4-5H,2-3,6H2,1H3
InChIKeyYGQWMBZTTNQMAS-UHFFFAOYSA-N
MW189.24 g/mol
LogP1.25
Rot. Bonds4

About 2-butylsulfonyl-1,3-oxazole

2-butylsulfonyl-1,3-oxazole (PubChem CID 155801702) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-butylsulfonyl-1,3-oxazole.

Molecular Properties

Compound Name2-butylsulfonyl-1,3-oxazole
PubChem CID155801702
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name2-butylsulfonyl-1,3-oxazole
SMILESCCCCS(=O)(=O)c1ncco1
InChIInChI=1S/C7H11NO3S/c1-2-3-6-12(9,10)7-8-4-5-11-7/h4-5H,2-3,6H2,1H3
InChIKeyYGQWMBZTTNQMAS-UHFFFAOYSA-N
XLogP1.25
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Triflyloxazole
CID 129737498
Oxazole, 2-(methylthio)-
CID 10931412
2-Butylsulfanyl-1,3-oxazole
CID 11171120
2-(3,4,4-Trifluoro-3-butenylsulfinyl)oxazole
CID 12993959
2-(3,4,4-Trifluorobut-3-enylsulfonyl)-1,3-oxazole
CID 12993960
2-Butylsulfanyl-5-deuterio-1,3-oxazole
CID 134857604
Ethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate
CID 106920715
2-(3-Fluoropropylsulfanyl)-1,3-oxazole
CID 130660686
1-Fluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol
CID 131219854
2-Oxazolesulfonyl chloride
CID 18974423
1-(1,3-Oxazol-2-ylsulfanyl)propan-2-amine
CID 20242471
2-(3-Aminopropyl)thiooxazole
CID 20550119

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfonyl-1,3-oxazole?
The IUPAC name of 2-butylsulfonyl-1,3-oxazole (CID 155801702) is 2-butylsulfonyl-1,3-oxazole.
What is the SMILES notation for 2-butylsulfonyl-1,3-oxazole?
The canonical SMILES for 2-butylsulfonyl-1,3-oxazole is CCCCS(=O)(=O)c1ncco1.
What is the InChIKey of 2-butylsulfonyl-1,3-oxazole?
The InChIKey is YGQWMBZTTNQMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-2-3-6-12(9,10)7-8-4-5-11-7/h4-5H,2-3,6H2,1H3.
What are the key properties of 2-butylsulfonyl-1,3-oxazole?
2-butylsulfonyl-1,3-oxazole has a molecular weight of 189.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfonyl-1,3-oxazole is sourced from PubChem (CID 155801702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).