3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde

C17H15NO2 — CID 174694960

IUPAC3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde
SMILESO=Cc1cccc(C2=N[C@H](Cc3ccccc3)CO2)c1
InChIInChI=1S/C17H15NO2/c19-11-14-7-4-8-15(9-14)17-18-16(12-20-17)10-13-5-2-1-3-6-13/h1-9,11,16H,10,12H2/t16-/m1/s1
InChIKeyLXGBQYWFLIOQSV-MRXNPFEDSA-N
MW265.31 g/mol
LogP2.89
Rot. Bonds4

About 3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde

3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde (PubChem CID 174694960) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde.

Molecular Properties

Compound Name3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde
PubChem CID174694960
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde
SMILESO=Cc1cccc(C2=N[C@H](Cc3ccccc3)CO2)c1
InChIInChI=1S/C17H15NO2/c19-11-14-7-4-8-15(9-14)17-18-16(12-20-17)10-13-5-2-1-3-6-13/h1-9,11,16H,10,12H2/t16-/m1/s1
InChIKeyLXGBQYWFLIOQSV-MRXNPFEDSA-N
XLogP2.89
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde?
The IUPAC name of 3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde (CID 174694960) is 3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde.
What is the SMILES notation for 3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde?
The canonical SMILES for 3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde is O=Cc1cccc(C2=N[C@H](Cc3ccccc3)CO2)c1.
What is the InChIKey of 3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde?
The InChIKey is LXGBQYWFLIOQSV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15NO2/c19-11-14-7-4-8-15(9-14)17-18-16(12-20-17)10-13-5-2-1-3-6-13/h1-9,11,16H,10,12H2/t16-/m1/s1.
What are the key properties of 3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde?
3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde has a molecular weight of 265.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde is sourced from PubChem (CID 174694960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).