(4S)-4-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazole

C19H19NO2 — CID 102142829

IUPAC(4S)-4-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(/C=C/C2=N[C@@H](Cc3ccccc3)CO2)cc1
InChIInChI=1S/C19H19NO2/c1-21-18-10-7-15(8-11-18)9-12-19-20-17(14-22-19)13-16-5-3-2-4-6-16/h2-12,17H,13-14H2,1H3/b12-9+/t17-/m0/s1
InChIKeyADDIJOHARQGRCA-KQPPXVQYSA-N
MW293.37 g/mol
LogP3.75
Rot. Bonds5

About (4S)-4-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazole

(4S)-4-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 102142829) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazole
PubChem CID102142829
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(4S)-4-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(/C=C/C2=N[C@@H](Cc3ccccc3)CO2)cc1
InChIInChI=1S/C19H19NO2/c1-21-18-10-7-15(8-11-18)9-12-19-20-17(14-22-19)13-16-5-3-2-4-6-16/h2-12,17H,13-14H2,1H3/b12-9+/t17-/m0/s1
InChIKeyADDIJOHARQGRCA-KQPPXVQYSA-N
XLogP3.75
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazole (CID 102142829) is (4S)-4-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazole is COc1ccc(/C=C/C2=N[C@@H](Cc3ccccc3)CO2)cc1.
What is the InChIKey of (4S)-4-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ADDIJOHARQGRCA-KQPPXVQYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-21-18-10-7-15(8-11-18)9-12-19-20-17(14-22-19)13-16-5-3-2-4-6-16/h2-12,17H,13-14H2,1H3/b12-9+/t17-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 293.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102142829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).