(4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde

C13H15NO4 — CID 42604410

IUPAC(4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde
SMILESCOc1ccc([C@@H]2N(C=O)C(=O)OC2(C)C)cc1
InChIInChI=1S/C13H15NO4/c1-13(2)11(14(8-15)12(16)18-13)9-4-6-10(17-3)7-5-9/h4-8,11H,1-3H3/t11-/m0/s1
InChIKeyGUAIESKAWWQHMX-NSHDSACASA-N
MW249.27 g/mol
LogP2.12
Rot. Bonds3

About (4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde

(4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde (PubChem CID 42604410) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde.

Molecular Properties

Compound Name(4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde
PubChem CID42604410
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde
SMILESCOc1ccc([C@@H]2N(C=O)C(=O)OC2(C)C)cc1
InChIInChI=1S/C13H15NO4/c1-13(2)11(14(8-15)12(16)18-13)9-4-6-10(17-3)7-5-9/h4-8,11H,1-3H3/t11-/m0/s1
InChIKeyGUAIESKAWWQHMX-NSHDSACASA-N
XLogP2.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde with MolForge

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Related Compounds

(4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 134926070
(2R,6R)-2,6-bis(4-methoxyphenyl)-3,3-dimethyl-4-oxopiperidine-1-carbaldehyde
CID 139076255
3-(4-methoxyphenyl)-1,2,2-trimethylaziridine
CID 162398178
(4R)-4-[(2S)-3,3-dimethyloxiran-2-yl]-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
CID 44596536
3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234
(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
CID 90667211
1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene
CID 778703
(6R)-6-(4-methoxyphenyl)-3,3,5,5-tetramethyloxane-2,4-dione
CID 723175
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
CID 2945930
2-(4-methoxyphenyl)piperidin-3-one;hydrochloride
CID 115044476
(4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one
CID 102142146

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde?
The IUPAC name of (4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde (CID 42604410) is (4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde.
What is the SMILES notation for (4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde?
The canonical SMILES for (4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde is COc1ccc([C@@H]2N(C=O)C(=O)OC2(C)C)cc1.
What is the InChIKey of (4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde?
The InChIKey is GUAIESKAWWQHMX-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NO4/c1-13(2)11(14(8-15)12(16)18-13)9-4-6-10(17-3)7-5-9/h4-8,11H,1-3H3/t11-/m0/s1.
What are the key properties of (4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde?
(4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde has a molecular weight of 249.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde is sourced from PubChem (CID 42604410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).