(5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride

C5H6FNO3S — CID 138991355

IUPAC(5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride
SMILESCc1ocnc1CS(=O)(=O)F
InChIInChI=1S/C5H6FNO3S/c1-4-5(7-3-10-4)2-11(6,8)9/h3H,2H2,1H3
InChIKeyWTXQJIPWNXBODQ-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.78
Rot. Bonds2

About (5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride

(5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride (PubChem CID 138991355) has the molecular formula C5H6FNO3S and a molecular weight of 179.17 g/mol. Its IUPAC name is (5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride
PubChem CID138991355
Molecular FormulaC5H6FNO3S
Molecular Weight179.17 g/mol
Exact Mass179.01
IUPAC Name(5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride
SMILESCc1ocnc1CS(=O)(=O)F
InChIInChI=1S/C5H6FNO3S/c1-4-5(7-3-10-4)2-11(6,8)9/h3H,2H2,1H3
InChIKeyWTXQJIPWNXBODQ-UHFFFAOYSA-N
XLogP0.78
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride?
The IUPAC name of (5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride (CID 138991355) is (5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride.
What is the SMILES notation for (5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride?
The canonical SMILES for (5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride is Cc1ocnc1CS(=O)(=O)F.
What is the InChIKey of (5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride?
The InChIKey is WTXQJIPWNXBODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO3S/c1-4-5(7-3-10-4)2-11(6,8)9/h3H,2H2,1H3.
What are the key properties of (5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride?
(5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride has a molecular weight of 179.17 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-oxazol-4-yl)methanesulfonyl fluoride is sourced from PubChem (CID 138991355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).