(Z)-N-methoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]ethanimine

C10H11F3N2O2S — CID 150495513

IUPAC(Z)-N-methoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]ethanimine
SMILESCO/N=C(/C)c1cnc(SCCC(F)=C(F)F)o1
InChIInChI=1S/C10H11F3N2O2S/c1-6(15-16-2)8-5-14-10(17-8)18-4-3-7(11)9(12)13/h5H,3-4H2,1-2H3/b15-6-
InChIKeyHWRXIBBSFUMBPJ-UUASQNMZSA-N
MW280.27 g/mol
LogP3.60
Rot. Bonds6

About (Z)-N-methoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]ethanimine

(Z)-N-methoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]ethanimine (PubChem CID 150495513) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is (Z)-N-methoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]ethanimine.

Molecular Properties

Compound Name(Z)-N-methoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]ethanimine
PubChem CID150495513
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name(Z)-N-methoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]ethanimine
SMILESCO/N=C(/C)c1cnc(SCCC(F)=C(F)F)o1
InChIInChI=1S/C10H11F3N2O2S/c1-6(15-16-2)8-5-14-10(17-8)18-4-3-7(11)9(12)13/h5H,3-4H2,1-2H3/b15-6-
InChIKeyHWRXIBBSFUMBPJ-UUASQNMZSA-N
XLogP3.60
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 134224595
CID 134224595
CID 149610226
CID 149610226
CID 149610227
CID 149610227
CID 150247571
CID 150247571
CID 150247572
CID 150247572
CID 150483352
CID 150483352
CID 150483353
CID 150483353
CID 150495514
CID 150495514
CID 150585913
CID 150585913
CID 150585914
CID 150585914
CID 150658513
CID 150658513
CID 150933598
CID 150933598

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]ethanimine?
The IUPAC name of (Z)-N-methoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]ethanimine (CID 150495513) is (Z)-N-methoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]ethanimine.
What is the SMILES notation for (Z)-N-methoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]ethanimine?
The canonical SMILES for (Z)-N-methoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]ethanimine is CO/N=C(/C)c1cnc(SCCC(F)=C(F)F)o1.
What is the InChIKey of (Z)-N-methoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]ethanimine?
The InChIKey is HWRXIBBSFUMBPJ-UUASQNMZSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-6(15-16-2)8-5-14-10(17-8)18-4-3-7(11)9(12)13/h5H,3-4H2,1-2H3/b15-6-.
What are the key properties of (Z)-N-methoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]ethanimine?
(Z)-N-methoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]ethanimine has a molecular weight of 280.27 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]ethanimine is sourced from PubChem (CID 150495513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).