[(4S,5S)-2-benzyl-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol

C13H15NO2 — CID 10262798

IUPAC[(4S,5S)-2-benzyl-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESC=C[C@@H]1OC(Cc2ccccc2)=N[C@H]1CO
InChIInChI=1S/C13H15NO2/c1-2-12-11(9-15)14-13(16-12)8-10-6-4-3-5-7-10/h2-7,11-12,15H,1,8-9H2/t11-,12-/m0/s1
InChIKeyFLKISSURPVEJPE-RYUDHWBXSA-N
MW217.27 g/mol
LogP1.57
Rot. Bonds4

About [(4S,5S)-2-benzyl-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol

[(4S,5S)-2-benzyl-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol (PubChem CID 10262798) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is [(4S,5S)-2-benzyl-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-2-benzyl-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
PubChem CID10262798
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name[(4S,5S)-2-benzyl-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESC=C[C@@H]1OC(Cc2ccccc2)=N[C@H]1CO
InChIInChI=1S/C13H15NO2/c1-2-12-11(9-15)14-13(16-12)8-10-6-4-3-5-7-10/h2-7,11-12,15H,1,8-9H2/t11-,12-/m0/s1
InChIKeyFLKISSURPVEJPE-RYUDHWBXSA-N
XLogP1.57
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-2-benzyl-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The IUPAC name of [(4S,5S)-2-benzyl-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol (CID 10262798) is [(4S,5S)-2-benzyl-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-2-benzyl-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [(4S,5S)-2-benzyl-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol is C=C[C@@H]1OC(Cc2ccccc2)=N[C@H]1CO.
What is the InChIKey of [(4S,5S)-2-benzyl-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The InChIKey is FLKISSURPVEJPE-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-12-11(9-15)14-13(16-12)8-10-6-4-3-5-7-10/h2-7,11-12,15H,1,8-9H2/t11-,12-/m0/s1.
What are the key properties of [(4S,5S)-2-benzyl-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
[(4S,5S)-2-benzyl-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol has a molecular weight of 217.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-2-benzyl-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 10262798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).