(4-methylphenyl) 4,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate

C20H21NO4 — CID 18727090

IUPAC(4-methylphenyl) 4,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCc1ccc(OC(=O)N2C(=O)OC(C)(C)C2(C)c2ccccc2)cc1
InChIInChI=1S/C20H21NO4/c1-14-10-12-16(13-11-14)24-17(22)21-18(23)25-19(2,3)20(21,4)15-8-6-5-7-9-15/h5-13H,1-4H3
InChIKeyLAEHWBDLMRMHKA-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.64
Rot. Bonds2

About (4-methylphenyl) 4,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate

(4-methylphenyl) 4,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate (PubChem CID 18727090) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (4-methylphenyl) 4,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl) 4,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate
PubChem CID18727090
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(4-methylphenyl) 4,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCc1ccc(OC(=O)N2C(=O)OC(C)(C)C2(C)c2ccccc2)cc1
InChIInChI=1S/C20H21NO4/c1-14-10-12-16(13-11-14)24-17(22)21-18(23)25-19(2,3)20(21,4)15-8-6-5-7-9-15/h5-13H,1-4H3
InChIKeyLAEHWBDLMRMHKA-UHFFFAOYSA-N
XLogP4.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (4-methylphenyl) carbonate
CID 118690287
(3R,6S)-3,6-bis(4-methylphenoxy)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 39353102
(4-methylphenyl) hydrogen carbonate
CID 19016637
phenyl 2',2',3',3'-tetramethylspiro[1,3-benzoxazole-2,4'-thietane]-3-carboxylate
CID 10689575
formaldehyde;(4-methylphenyl) benzoate
CID 143467602
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090
(4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate
CID 78824404
benzyl N-(4-methylphenoxy)carbonyliminocarbamate
CID 140646264
phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate
CID 95358432
4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one
CID 12654053
phenyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate
CID 95358431
bis(4-methylphenyl) carbonate;ethane
CID 145416039

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 4,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of (4-methylphenyl) 4,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate (CID 18727090) is (4-methylphenyl) 4,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for (4-methylphenyl) 4,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for (4-methylphenyl) 4,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate is Cc1ccc(OC(=O)N2C(=O)OC(C)(C)C2(C)c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl) 4,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is LAEHWBDLMRMHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-14-10-12-16(13-11-14)24-17(22)21-18(23)25-19(2,3)20(21,4)15-8-6-5-7-9-15/h5-13H,1-4H3.
What are the key properties of (4-methylphenyl) 4,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate?
(4-methylphenyl) 4,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 4,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 18727090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).