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

C11H11FN2O — CID 15421797

IUPAC(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine
SMILESN/C(=C\C1=NCCO1)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c12-9-3-1-8(2-4-9)10(13)7-11-14-5-6-15-11/h1-4,7H,5-6,13H2/b10-7-
InChIKeyBTLBPHQNUWSZJP-YFHOEESVSA-N
MW206.22 g/mol
LogP1.55
Rot. Bonds2

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

(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine (PubChem CID 15421797) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine.

Molecular Properties

Compound Name(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine
PubChem CID15421797
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine
SMILESN/C(=C\C1=NCCO1)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c12-9-3-1-8(2-4-9)10(13)7-11-14-5-6-15-11/h1-4,7H,5-6,13H2/b10-7-
InChIKeyBTLBPHQNUWSZJP-YFHOEESVSA-N
XLogP1.55
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine?
The IUPAC name of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine (CID 15421797) is (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine.
What is the SMILES notation for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine?
The canonical SMILES for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine is N/C(=C\C1=NCCO1)c1ccc(F)cc1.
What is the InChIKey of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine?
The InChIKey is BTLBPHQNUWSZJP-YFHOEESVSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-9-3-1-8(2-4-9)10(13)7-11-14-5-6-15-11/h1-4,7H,5-6,13H2/b10-7-.
What are the key properties of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine?
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine has a molecular weight of 206.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine is sourced from PubChem (CID 15421797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).