(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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Related Compounds

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CID 102168962
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CID 141264738
1-benzyl-2-phenyl-2,4-dihydropyridin-3-one
CID 159923351
ethyl 2-benzyl-4-cyclohexyl-3-phenyl-3H-1,2-oxazole-5-carboxylate
CID 134933001
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CID 102522777
5-(3-fluorophenyl)-2-[(4-hydroxyphenyl)methyl]-3-[(E)-prop-1-enyl]-3H-1,2-oxazole-4-carbaldehyde
CID 56929291
(3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde
CID 12982841
5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione
CID 101385697
2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one
CID 86714742
1-[(3R)-2-benzyl-3-phenyl-3H-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 125478892
9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbaldehyde
CID 171936331
(5S)-1-benzyl-5-phenylimidazolidine-2,4-dione
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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).