[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate

C15H10F2N2O4S — CID 9490895

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
SMILESO=C(OCc1cc(-c2ccco2)on1)c1cccnc1SC(F)F
InChIInChI=1S/C15H10F2N2O4S/c16-15(17)24-13-10(3-1-5-18-13)14(20)22-8-9-7-12(23-19-9)11-4-2-6-21-11/h1-7,15H,8H2
InChIKeyRAECPMZEILGUOJ-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.00
Rot. Bonds6

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate (PubChem CID 9490895) has the molecular formula C15H10F2N2O4S and a molecular weight of 352.32 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
PubChem CID9490895
Molecular FormulaC15H10F2N2O4S
Molecular Weight352.32 g/mol
Exact Mass352.03
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
SMILESO=C(OCc1cc(-c2ccco2)on1)c1cccnc1SC(F)F
InChIInChI=1S/C15H10F2N2O4S/c16-15(17)24-13-10(3-1-5-18-13)14(20)22-8-9-7-12(23-19-9)11-4-2-6-21-11/h1-7,15H,8H2
InChIKeyRAECPMZEILGUOJ-UHFFFAOYSA-N
XLogP4.00
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate (CID 9490895) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate is O=C(OCc1cc(-c2ccco2)on1)c1cccnc1SC(F)F.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate?
The InChIKey is RAECPMZEILGUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O4S/c16-15(17)24-13-10(3-1-5-18-13)14(20)22-8-9-7-12(23-19-9)11-4-2-6-21-11/h1-7,15H,8H2.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate has a molecular weight of 352.32 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate is sourced from PubChem (CID 9490895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).