4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole

C16H15FN2O4S — CID 55573866

IUPAC4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CS(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H15FN2O4S/c1-10-15(11(2)23-19-10)9-24(20,21)8-14-7-22-16(18-14)12-3-5-13(17)6-4-12/h3-7H,8-9H2,1-2H3
InChIKeyFGDMHAFPYMMBLY-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.20
Rot. Bonds5

About 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole

4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 55573866) has the molecular formula C16H15FN2O4S and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID55573866
Molecular FormulaC16H15FN2O4S
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CS(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H15FN2O4S/c1-10-15(11(2)23-19-10)9-24(20,21)8-14-7-22-16(18-14)12-3-5-13(17)6-4-12/h3-7H,8-9H2,1-2H3
InChIKeyFGDMHAFPYMMBLY-UHFFFAOYSA-N
XLogP3.20
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole (CID 55573866) is 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CS(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is FGDMHAFPYMMBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4S/c1-10-15(11(2)23-19-10)9-24(20,21)8-14-7-22-16(18-14)12-3-5-13(17)6-4-12/h3-7H,8-9H2,1-2H3.
What are the key properties of 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole?
4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 350.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 55573866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).