(Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine

C11H10F2N2O — CID 101241172

IUPAC(Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine
SMILESN/C(=C\C1=NCCO1)c1ccc(F)cc1F
InChIInChI=1S/C11H10F2N2O/c12-7-1-2-8(9(13)5-7)10(14)6-11-15-3-4-16-11/h1-2,5-6H,3-4,14H2/b10-6-
InChIKeyOVYYIECVDVBGCS-POHAHGRESA-N
MW224.21 g/mol
LogP1.69
Rot. Bonds2

About (Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine

(Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine (PubChem CID 101241172) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is (Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine.

Molecular Properties

Compound Name(Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine
PubChem CID101241172
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name(Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine
SMILESN/C(=C\C1=NCCO1)c1ccc(F)cc1F
InChIInChI=1S/C11H10F2N2O/c12-7-1-2-8(9(13)5-7)10(14)6-11-15-3-4-16-11/h1-2,5-6H,3-4,14H2/b10-6-
InChIKeyOVYYIECVDVBGCS-POHAHGRESA-N
XLogP1.69
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine?
The IUPAC name of (Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine (CID 101241172) is (Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine.
What is the SMILES notation for (Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine?
The canonical SMILES for (Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine is N/C(=C\C1=NCCO1)c1ccc(F)cc1F.
What is the InChIKey of (Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine?
The InChIKey is OVYYIECVDVBGCS-POHAHGRESA-N. The full InChI is InChI=1S/C11H10F2N2O/c12-7-1-2-8(9(13)5-7)10(14)6-11-15-3-4-16-11/h1-2,5-6H,3-4,14H2/b10-6-.
What are the key properties of (Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine?
(Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine has a molecular weight of 224.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine is sourced from PubChem (CID 101241172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).