(3S,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-5-carbaldehyde

C17H17NO2 — CID 101181615

IUPAC(3S,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-5-carbaldehyde
SMILESC[C@@]1(C=O)C[C@@H](c2ccccc2)N(c2ccccc2)O1
InChIInChI=1S/C17H17NO2/c1-17(13-19)12-16(14-8-4-2-5-9-14)18(20-17)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t16-,17-/m0/s1
InChIKeyCUANQUODVQWARD-IRXDYDNUSA-N
MW267.33 g/mol
LogP3.53
Rot. Bonds3

About (3S,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-5-carbaldehyde

(3S,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-5-carbaldehyde (PubChem CID 101181615) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3S,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-5-carbaldehyde.

Molecular Properties

Compound Name(3S,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-5-carbaldehyde
PubChem CID101181615
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3S,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-5-carbaldehyde
SMILESC[C@@]1(C=O)C[C@@H](c2ccccc2)N(c2ccccc2)O1
InChIInChI=1S/C17H17NO2/c1-17(13-19)12-16(14-8-4-2-5-9-14)18(20-17)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t16-,17-/m0/s1
InChIKeyCUANQUODVQWARD-IRXDYDNUSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.53
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,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-5-carbaldehyde?
The IUPAC name of (3S,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-5-carbaldehyde (CID 101181615) is (3S,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-5-carbaldehyde.
What is the SMILES notation for (3S,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-5-carbaldehyde?
The canonical SMILES for (3S,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-5-carbaldehyde is C[C@@]1(C=O)C[C@@H](c2ccccc2)N(c2ccccc2)O1.
What is the InChIKey of (3S,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-5-carbaldehyde?
The InChIKey is CUANQUODVQWARD-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H17NO2/c1-17(13-19)12-16(14-8-4-2-5-9-14)18(20-17)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t16-,17-/m0/s1.
What are the key properties of (3S,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-5-carbaldehyde?
(3S,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-5-carbaldehyde has a molecular weight of 267.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-5-carbaldehyde is sourced from PubChem (CID 101181615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).