(E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine

C19H20N2O — CID 101087446

IUPAC(E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine
SMILESC[C@H](N/C(=C/C1=NCCO1)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-15(16-8-4-2-5-9-16)21-18(14-19-20-12-13-22-19)17-10-6-3-7-11-17/h2-11,14-15,21H,12-13H2,1H3/b18-14+/t15-/m0/s1
InChIKeyVKDYXIHXAROXQF-JZBMNUFDSA-N
MW292.38 g/mol
LogP3.81
Rot. Bonds5

About (E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine

(E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine (PubChem CID 101087446) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine.

Molecular Properties

Compound Name(E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine
PubChem CID101087446
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine
SMILESC[C@H](N/C(=C/C1=NCCO1)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-15(16-8-4-2-5-9-16)21-18(14-19-20-12-13-22-19)17-10-6-3-7-11-17/h2-11,14-15,21H,12-13H2,1H3/b18-14+/t15-/m0/s1
InChIKeyVKDYXIHXAROXQF-JZBMNUFDSA-N
XLogP3.81
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine with MolForge

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Related Compounds

N-[(1R)-1-phenylethyl]-7-[(1R)-1-phenylethyl]iminocyclohepta-1,3,5-trien-1-amine
CID 11759432
(1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine
CID 163490539
N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline
CID 10778030
N-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine
CID 19917507
(Z)-N-[(1S)-1-phenylethyl]-4-[(1S)-1-phenylethyl]iminopent-2-en-2-amine
CID 102416180
[(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide
CID 134867562
(Z)-N-[(1R)-1-phenylethyl]-4-[(1R)-1-phenylethyl]iminopent-2-en-2-amine
CID 139099980
(Z)-N-(1-phenylethyl)-4-(1-phenylethylimino)pent-2-en-2-amine
CID 162407550
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-(1-phenylethyl)prop-1-en-2-amine
CID 10850598
(Z)-3-chloro-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3-difluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine
CID 101112396
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1R)-1-phenylethyl]prop-1-en-2-amine
CID 102061812
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine
CID 102061813

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine?
The IUPAC name of (E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine (CID 101087446) is (E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine.
What is the SMILES notation for (E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine?
The canonical SMILES for (E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine is C[C@H](N/C(=C/C1=NCCO1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine?
The InChIKey is VKDYXIHXAROXQF-JZBMNUFDSA-N. The full InChI is InChI=1S/C19H20N2O/c1-15(16-8-4-2-5-9-16)21-18(14-19-20-12-13-22-19)17-10-6-3-7-11-17/h2-11,14-15,21H,12-13H2,1H3/b18-14+/t15-/m0/s1.
What are the key properties of (E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine?
(E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine has a molecular weight of 292.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine is sourced from PubChem (CID 101087446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).