3-(2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-yl)propanal

C14H19NO2 — CID 123711052

IUPAC3-(2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-yl)propanal
SMILESCC1(C)NC(CCC=O)C(c2ccccc2)O1
InChIInChI=1S/C14H19NO2/c1-14(2)15-12(9-6-10-16)13(17-14)11-7-4-3-5-8-11/h3-5,7-8,10,12-13,15H,6,9H2,1-2H3
InChIKeyZERNWRQJTFZYMK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.43
Rot. Bonds4

About 3-(2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-yl)propanal

3-(2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-yl)propanal (PubChem CID 123711052) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-yl)propanal.

Molecular Properties

Compound Name3-(2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-yl)propanal
PubChem CID123711052
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-yl)propanal
SMILESCC1(C)NC(CCC=O)C(c2ccccc2)O1
InChIInChI=1S/C14H19NO2/c1-14(2)15-12(9-6-10-16)13(17-14)11-7-4-3-5-8-11/h3-5,7-8,10,12-13,15H,6,9H2,1-2H3
InChIKeyZERNWRQJTFZYMK-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane
CID 14972315
(4S,5S)-3-acetyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-4-carbaldehyde
CID 18651250
1-[(4S,5S)-4-(hydroxymethyl)-2,2-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]ethanone
CID 18651243
(2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine
CID 10539775
5,5-dimethyl-2,3-diphenylmorpholine
CID 43174722
3-(4-methyl-4-phenylcycloheptyl)propanal
CID 91296758
(E)-3-[(4R,5R)-3-tert-butyl-2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-yl]prop-2-enal
CID 161101443
2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol
CID 118151829
4-(2-methylpropyl)-5-phenyl-1,3-oxazolidine-2-carbaldehyde
CID 174266488
4-(fluoromethyl)-5-[4-(fluoromethylsulfinyl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carbaldehyde
CID 134222084
(4S,5S)-2,2-dimethyl-4-[(3E,7E)-3-methylnona-3,7-dienyl]-5-phenyl-1,3-dioxolane
CID 15357967
methyl 2-[(4S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]acetate
CID 71088677

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-yl)propanal?
The IUPAC name of 3-(2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-yl)propanal (CID 123711052) is 3-(2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-yl)propanal.
What is the SMILES notation for 3-(2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-yl)propanal?
The canonical SMILES for 3-(2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-yl)propanal is CC1(C)NC(CCC=O)C(c2ccccc2)O1.
What is the InChIKey of 3-(2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-yl)propanal?
The InChIKey is ZERNWRQJTFZYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2)15-12(9-6-10-16)13(17-14)11-7-4-3-5-8-11/h3-5,7-8,10,12-13,15H,6,9H2,1-2H3.
What are the key properties of 3-(2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-yl)propanal?
3-(2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-yl)propanal has a molecular weight of 233.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-yl)propanal is sourced from PubChem (CID 123711052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).