(3R,4R)-4-methyl-2,3-diphenyl-1,2-oxazolidine-4-carbaldehyde

C17H17NO2 — CID 71363111

IUPAC(3R,4R)-4-methyl-2,3-diphenyl-1,2-oxazolidine-4-carbaldehyde
SMILESC[C@]1(C=O)CON(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-17(12-19)13-20-18(15-10-6-3-7-11-15)16(17)14-8-4-2-5-9-14/h2-12,16H,13H2,1H3/t16-,17+/m1/s1
InChIKeyHKUWXKNBFWXRTH-SJORKVTESA-N
MW267.33 g/mol
LogP3.38
Rot. Bonds3

About (3R,4R)-4-methyl-2,3-diphenyl-1,2-oxazolidine-4-carbaldehyde

(3R,4R)-4-methyl-2,3-diphenyl-1,2-oxazolidine-4-carbaldehyde (PubChem CID 71363111) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3R,4R)-4-methyl-2,3-diphenyl-1,2-oxazolidine-4-carbaldehyde.

Molecular Properties

Compound Name(3R,4R)-4-methyl-2,3-diphenyl-1,2-oxazolidine-4-carbaldehyde
PubChem CID71363111
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3R,4R)-4-methyl-2,3-diphenyl-1,2-oxazolidine-4-carbaldehyde
SMILESC[C@]1(C=O)CON(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-17(12-19)13-20-18(15-10-6-3-7-11-15)16(17)14-8-4-2-5-9-14/h2-12,16H,13H2,1H3/t16-,17+/m1/s1
InChIKeyHKUWXKNBFWXRTH-SJORKVTESA-N
XLogP3.38
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 ≤ 53.38
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 (3R,4R)-4-methyl-2,3-diphenyl-1,2-oxazolidine-4-carbaldehyde?
The IUPAC name of (3R,4R)-4-methyl-2,3-diphenyl-1,2-oxazolidine-4-carbaldehyde (CID 71363111) is (3R,4R)-4-methyl-2,3-diphenyl-1,2-oxazolidine-4-carbaldehyde.
What is the SMILES notation for (3R,4R)-4-methyl-2,3-diphenyl-1,2-oxazolidine-4-carbaldehyde?
The canonical SMILES for (3R,4R)-4-methyl-2,3-diphenyl-1,2-oxazolidine-4-carbaldehyde is C[C@]1(C=O)CON(c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4R)-4-methyl-2,3-diphenyl-1,2-oxazolidine-4-carbaldehyde?
The InChIKey is HKUWXKNBFWXRTH-SJORKVTESA-N. The full InChI is InChI=1S/C17H17NO2/c1-17(12-19)13-20-18(15-10-6-3-7-11-15)16(17)14-8-4-2-5-9-14/h2-12,16H,13H2,1H3/t16-,17+/m1/s1.
What are the key properties of (3R,4R)-4-methyl-2,3-diphenyl-1,2-oxazolidine-4-carbaldehyde?
(3R,4R)-4-methyl-2,3-diphenyl-1,2-oxazolidine-4-carbaldehyde has a molecular weight of 267.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-2,3-diphenyl-1,2-oxazolidine-4-carbaldehyde is sourced from PubChem (CID 71363111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).