(3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde

C18H19NO2 — CID 12982841

IUPAC(3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde
SMILESC[C@@H]1ON(Cc2ccccc2)[C@@H](c2ccccc2)[C@H]1C=O
InChIInChI=1S/C18H19NO2/c1-14-17(13-20)18(16-10-6-3-7-11-16)19(21-14)12-15-8-4-2-5-9-15/h2-11,13-14,17-18H,12H2,1H3/t14-,17-,18-/m0/s1
InChIKeyQYIBHCXSGMNEPY-WBAXXEDZSA-N
MW281.36 g/mol
LogP3.38
Rot. Bonds4

About (3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde

(3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde (PubChem CID 12982841) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde.

Molecular Properties

Compound Name(3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde
PubChem CID12982841
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde
SMILESC[C@@H]1ON(Cc2ccccc2)[C@@H](c2ccccc2)[C@H]1C=O
InChIInChI=1S/C18H19NO2/c1-14-17(13-20)18(16-10-6-3-7-11-16)19(21-14)12-15-8-4-2-5-9-15/h2-11,13-14,17-18H,12H2,1H3/t14-,17-,18-/m0/s1
InChIKeyQYIBHCXSGMNEPY-WBAXXEDZSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.38
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

benzyl (3S,4S,5R)-2-benzyl-4-formyl-5-methyl-1,2-oxazolidine-3-carboxylate
CID 102416371
(3R,4S)-2-benzyl-4-bromo-3-phenyl-1,2-oxazolidin-5-ol
CID 135023637
(3S,4R,5S)-2-benzyl-3,5-dimethyl-4-nitro-1,2-oxazolidine
CID 10421612
(3S,3aS,6aR)-2-benzyl-3-phenyl-3a,4,5,6a-tetrahydro-3H-furo[3,2-d][1,2]oxazole
CID 23649728
(4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide
CID 138962724
(3S)-2-benzyl-3,5-diphenyl-3H-1,2-oxazole-4-carbaldehyde
CID 102452286
1-benzyl-4-methylazetidine-2-carbaldehyde
CID 59908727
ethyl 2-[(2S,3S,4S)-1-benzyl-3-formyl-2-phenylpiperidin-4-yl]acetate
CID 132532994
(1S,4aS,5R,6R,8aS)-3-benzyl-1-methyl-5,6-diphenyl-4a,5,6,8a-tetrahydro-1H-2,3-benzoxazin-4-one
CID 91235901
methyl 4-[(3R,4S,5R)-2-benzyl-5-methyl-4-(1-methylimidazole-2-carbonyl)-1,2-oxazolidin-3-yl]benzoate
CID 102253531
(3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one
CID 13358936
1-[(2S,3S)-1-benzyl-3-phenylaziridin-2-yl]ethanone
CID 23243955

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde?
The IUPAC name of (3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde (CID 12982841) is (3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde.
What is the SMILES notation for (3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde?
The canonical SMILES for (3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde is C[C@@H]1ON(Cc2ccccc2)[C@@H](c2ccccc2)[C@H]1C=O.
What is the InChIKey of (3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde?
The InChIKey is QYIBHCXSGMNEPY-WBAXXEDZSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14-17(13-20)18(16-10-6-3-7-11-16)19(21-14)12-15-8-4-2-5-9-15/h2-11,13-14,17-18H,12H2,1H3/t14-,17-,18-/m0/s1.
What are the key properties of (3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde?
(3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde has a molecular weight of 281.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde is sourced from PubChem (CID 12982841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).