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

C18H16FNO — CID 102142826

IUPAC(4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(/C=C/C2=N[C@@H](Cc3ccccc3)CO2)cc1
InChIInChI=1S/C18H16FNO/c19-16-9-6-14(7-10-16)8-11-18-20-17(13-21-18)12-15-4-2-1-3-5-15/h1-11,17H,12-13H2/b11-8+/t17-/m0/s1
InChIKeyQHZQLQKDKIBVFJ-YRYLYKBFSA-N
MW281.33 g/mol
LogP3.88
Rot. Bonds4

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

(4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 102142826) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole
PubChem CID102142826
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name(4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(/C=C/C2=N[C@@H](Cc3ccccc3)CO2)cc1
InChIInChI=1S/C18H16FNO/c19-16-9-6-14(7-10-16)8-11-18-20-17(13-21-18)12-15-4-2-1-3-5-15/h1-11,17H,12-13H2/b11-8+/t17-/m0/s1
InChIKeyQHZQLQKDKIBVFJ-YRYLYKBFSA-N
XLogP3.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole (CID 102142826) is (4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole is Fc1ccc(/C=C/C2=N[C@@H](Cc3ccccc3)CO2)cc1.
What is the InChIKey of (4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is QHZQLQKDKIBVFJ-YRYLYKBFSA-N. The full InChI is InChI=1S/C18H16FNO/c19-16-9-6-14(7-10-16)8-11-18-20-17(13-21-18)12-15-4-2-1-3-5-15/h1-11,17H,12-13H2/b11-8+/t17-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 281.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102142826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).