3-[(2-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole

C12H12FNO4S — CID 66190760

IUPAC3-[(2-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(CS(=O)(=O)c2ccccc2F)no1
InChIInChI=1S/C12H12FNO4S/c1-17-7-10-6-9(14-18-10)8-19(15,16)12-5-3-2-4-11(12)13/h2-6H,7-8H2,1H3
InChIKeyKCFYKCMAABNZMW-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.93
Rot. Bonds5

About 3-[(2-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole

3-[(2-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole (PubChem CID 66190760) has the molecular formula C12H12FNO4S and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole
PubChem CID66190760
Molecular FormulaC12H12FNO4S
Molecular Weight285.30 g/mol
Exact Mass285.05
IUPAC Name3-[(2-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(CS(=O)(=O)c2ccccc2F)no1
InChIInChI=1S/C12H12FNO4S/c1-17-7-10-6-9(14-18-10)8-19(15,16)12-5-3-2-4-11(12)13/h2-6H,7-8H2,1H3
InChIKeyKCFYKCMAABNZMW-UHFFFAOYSA-N
XLogP1.93
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 3-[(2-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole (CID 66190760) is 3-[(2-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-[(2-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole is COCc1cc(CS(=O)(=O)c2ccccc2F)no1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole?
The InChIKey is KCFYKCMAABNZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO4S/c1-17-7-10-6-9(14-18-10)8-19(15,16)12-5-3-2-4-11(12)13/h2-6H,7-8H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole?
3-[(2-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole has a molecular weight of 285.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 66190760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).