3-[(4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole

C12H12FNO4S — CID 66190960

IUPAC3-[(4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(CS(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C12H12FNO4S/c1-17-7-11-6-10(14-18-11)8-19(15,16)12-4-2-9(13)3-5-12/h2-6H,7-8H2,1H3
InChIKeyJPQNVZUYPRCRCX-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.93
Rot. Bonds5

About 3-[(4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole

3-[(4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole (PubChem CID 66190960) has the molecular formula C12H12FNO4S and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole
PubChem CID66190960
Molecular FormulaC12H12FNO4S
Molecular Weight285.30 g/mol
Exact Mass285.05
IUPAC Name3-[(4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(CS(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C12H12FNO4S/c1-17-7-11-6-10(14-18-11)8-19(15,16)12-4-2-9(13)3-5-12/h2-6H,7-8H2,1H3
InChIKeyJPQNVZUYPRCRCX-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

Analyze 3-[(4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole (CID 66190960) is 3-[(4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole is COCc1cc(CS(=O)(=O)c2ccc(F)cc2)no1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole?
The InChIKey is JPQNVZUYPRCRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO4S/c1-17-7-11-6-10(14-18-11)8-19(15,16)12-4-2-9(13)3-5-12/h2-6H,7-8H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole?
3-[(4-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-[(4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 66190960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).