(5-ethyl-1,3-oxazol-2-yl)methanesulfonyl fluoride

C6H8FNO3S — CID 165452935

IUPAC(5-ethyl-1,3-oxazol-2-yl)methanesulfonyl fluoride
SMILESCCc1cnc(CS(=O)(=O)F)o1
InChIInChI=1S/C6H8FNO3S/c1-2-5-3-8-6(11-5)4-12(7,9)10/h3H,2,4H2,1H3
InChIKeySWAPUARHJGUOQB-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.04
Rot. Bonds3

About (5-ethyl-1,3-oxazol-2-yl)methanesulfonyl fluoride

(5-ethyl-1,3-oxazol-2-yl)methanesulfonyl fluoride (PubChem CID 165452935) has the molecular formula C6H8FNO3S and a molecular weight of 193.20 g/mol. Its IUPAC name is (5-ethyl-1,3-oxazol-2-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(5-ethyl-1,3-oxazol-2-yl)methanesulfonyl fluoride
PubChem CID165452935
Molecular FormulaC6H8FNO3S
Molecular Weight193.20 g/mol
Exact Mass193.02
IUPAC Name(5-ethyl-1,3-oxazol-2-yl)methanesulfonyl fluoride
SMILESCCc1cnc(CS(=O)(=O)F)o1
InChIInChI=1S/C6H8FNO3S/c1-2-5-3-8-6(11-5)4-12(7,9)10/h3H,2,4H2,1H3
InChIKeySWAPUARHJGUOQB-UHFFFAOYSA-N
XLogP1.04
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3-oxazol-2-yl)methanesulfonyl fluoride?
The IUPAC name of (5-ethyl-1,3-oxazol-2-yl)methanesulfonyl fluoride (CID 165452935) is (5-ethyl-1,3-oxazol-2-yl)methanesulfonyl fluoride.
What is the SMILES notation for (5-ethyl-1,3-oxazol-2-yl)methanesulfonyl fluoride?
The canonical SMILES for (5-ethyl-1,3-oxazol-2-yl)methanesulfonyl fluoride is CCc1cnc(CS(=O)(=O)F)o1.
What is the InChIKey of (5-ethyl-1,3-oxazol-2-yl)methanesulfonyl fluoride?
The InChIKey is SWAPUARHJGUOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO3S/c1-2-5-3-8-6(11-5)4-12(7,9)10/h3H,2,4H2,1H3.
What are the key properties of (5-ethyl-1,3-oxazol-2-yl)methanesulfonyl fluoride?
(5-ethyl-1,3-oxazol-2-yl)methanesulfonyl fluoride has a molecular weight of 193.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3-oxazol-2-yl)methanesulfonyl fluoride is sourced from PubChem (CID 165452935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).