(3S)-2-benzyl-3,5-diphenyl-3H-1,2-oxazole-4-carbaldehyde

C23H19NO2 — CID 102452286

IUPAC(3S)-2-benzyl-3,5-diphenyl-3H-1,2-oxazole-4-carbaldehyde
SMILESO=CC1=C(c2ccccc2)ON(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C23H19NO2/c25-17-21-22(19-12-6-2-7-13-19)24(16-18-10-4-1-5-11-18)26-23(21)20-14-8-3-9-15-20/h1-15,17,22H,16H2/t22-/m0/s1
InChIKeyVEYPNLAIESBDKM-QFIPXVFZSA-N
MW341.41 g/mol
LogP4.79
Rot. Bonds5

About (3S)-2-benzyl-3,5-diphenyl-3H-1,2-oxazole-4-carbaldehyde

(3S)-2-benzyl-3,5-diphenyl-3H-1,2-oxazole-4-carbaldehyde (PubChem CID 102452286) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3S)-2-benzyl-3,5-diphenyl-3H-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name(3S)-2-benzyl-3,5-diphenyl-3H-1,2-oxazole-4-carbaldehyde
PubChem CID102452286
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name(3S)-2-benzyl-3,5-diphenyl-3H-1,2-oxazole-4-carbaldehyde
SMILESO=CC1=C(c2ccccc2)ON(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C23H19NO2/c25-17-21-22(19-12-6-2-7-13-19)24(16-18-10-4-1-5-11-18)26-23(21)20-14-8-3-9-15-20/h1-15,17,22H,16H2/t22-/m0/s1
InChIKeyVEYPNLAIESBDKM-QFIPXVFZSA-N
XLogP4.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.79
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 (3S)-2-benzyl-3,5-diphenyl-3H-1,2-oxazole-4-carbaldehyde?
The IUPAC name of (3S)-2-benzyl-3,5-diphenyl-3H-1,2-oxazole-4-carbaldehyde (CID 102452286) is (3S)-2-benzyl-3,5-diphenyl-3H-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for (3S)-2-benzyl-3,5-diphenyl-3H-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for (3S)-2-benzyl-3,5-diphenyl-3H-1,2-oxazole-4-carbaldehyde is O=CC1=C(c2ccccc2)ON(Cc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (3S)-2-benzyl-3,5-diphenyl-3H-1,2-oxazole-4-carbaldehyde?
The InChIKey is VEYPNLAIESBDKM-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H19NO2/c25-17-21-22(19-12-6-2-7-13-19)24(16-18-10-4-1-5-11-18)26-23(21)20-14-8-3-9-15-20/h1-15,17,22H,16H2/t22-/m0/s1.
What are the key properties of (3S)-2-benzyl-3,5-diphenyl-3H-1,2-oxazole-4-carbaldehyde?
(3S)-2-benzyl-3,5-diphenyl-3H-1,2-oxazole-4-carbaldehyde has a molecular weight of 341.41 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-benzyl-3,5-diphenyl-3H-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 102452286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).