1-[2-(4,4-difluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]-N-ethoxymethanimine

C10H12F2N2O2S — CID 155231082

IUPAC1-[2-(4,4-difluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]-N-ethoxymethanimine
SMILESCCON=Cc1cnc(SCCC=C(F)F)o1
InChIInChI=1S/C10H12F2N2O2S/c1-2-15-14-7-8-6-13-10(16-8)17-5-3-4-9(11)12/h4,6-7H,2-3,5H2,1H3
InChIKeyFYVNQUSMMCIZRT-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.31
Rot. Bonds7

About 1-[2-(4,4-difluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]-N-ethoxymethanimine

1-[2-(4,4-difluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]-N-ethoxymethanimine (PubChem CID 155231082) has the molecular formula C10H12F2N2O2S and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-[2-(4,4-difluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]-N-ethoxymethanimine.

Molecular Properties

Compound Name1-[2-(4,4-difluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]-N-ethoxymethanimine
PubChem CID155231082
Molecular FormulaC10H12F2N2O2S
Molecular Weight262.28 g/mol
Exact Mass262.06
IUPAC Name1-[2-(4,4-difluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]-N-ethoxymethanimine
SMILESCCON=Cc1cnc(SCCC=C(F)F)o1
InChIInChI=1S/C10H12F2N2O2S/c1-2-15-14-7-8-6-13-10(16-8)17-5-3-4-9(11)12/h4,6-7H,2-3,5H2,1H3
InChIKeyFYVNQUSMMCIZRT-UHFFFAOYSA-N
XLogP3.31
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-difluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]-N-ethoxymethanimine?
The IUPAC name of 1-[2-(4,4-difluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]-N-ethoxymethanimine (CID 155231082) is 1-[2-(4,4-difluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]-N-ethoxymethanimine.
What is the SMILES notation for 1-[2-(4,4-difluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]-N-ethoxymethanimine?
The canonical SMILES for 1-[2-(4,4-difluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]-N-ethoxymethanimine is CCON=Cc1cnc(SCCC=C(F)F)o1.
What is the InChIKey of 1-[2-(4,4-difluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]-N-ethoxymethanimine?
The InChIKey is FYVNQUSMMCIZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2S/c1-2-15-14-7-8-6-13-10(16-8)17-5-3-4-9(11)12/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 1-[2-(4,4-difluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]-N-ethoxymethanimine?
1-[2-(4,4-difluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]-N-ethoxymethanimine has a molecular weight of 262.28 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-difluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]-N-ethoxymethanimine is sourced from PubChem (CID 155231082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).