(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde

C12H15NO2 — CID 71352528

IUPAC(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde
SMILESCC1(C)OC[C@H](c2ccccc2)N1C=O
InChIInChI=1S/C12H15NO2/c1-12(2)13(9-14)11(8-15-12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1
InChIKeyFVGRPEFWLMREJO-LLVKDONJSA-N
MW205.26 g/mol
LogP1.95
Rot. Bonds2

About (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde

(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde (PubChem CID 71352528) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde
PubChem CID71352528
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde
SMILESCC1(C)OC[C@H](c2ccccc2)N1C=O
InChIInChI=1S/C12H15NO2/c1-12(2)13(9-14)11(8-15-12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1
InChIKeyFVGRPEFWLMREJO-LLVKDONJSA-N
XLogP1.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium
CID 11133153
[(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone
CID 11471355
carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]ethylidenechromium
CID 10927351
[1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium
CID 135076519
[1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium
CID 134872179
(4S,5S)-3-acetyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-4-carbaldehyde
CID 18651250
methyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]propanoate
CID 10735453
carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium
CID 135077135
tert-butyl (4R)-2,2-dimethyl-4-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-oxazolidine-3-carboxylate
CID 10427737
(3S,8aR)-8a-methyl-3-phenyl-3,8-dihydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 10966283
(3S,8aR)-8a-methyl-3-phenyl-2,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,2-a]pyridine
CID 10512968
2-bromo-1-(7-phenyl-2,5-dioxa-8-azaspiro[3.4]octan-8-yl)ethanone
CID 175916163

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde?
The IUPAC name of (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde (CID 71352528) is (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde.
What is the SMILES notation for (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde?
The canonical SMILES for (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde is CC1(C)OC[C@H](c2ccccc2)N1C=O.
What is the InChIKey of (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde?
The InChIKey is FVGRPEFWLMREJO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2)13(9-14)11(8-15-12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde?
(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde is sourced from PubChem (CID 71352528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).