ethyl 2-(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)acetate

C21H21NO5 — CID 5130810

IUPACethyl 2-(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)acetate
SMILESCCOC(=O)CC1(C)C(=O)OC(c2ccccc2)N1C(=O)c1ccccc1
InChIInChI=1S/C21H21NO5/c1-3-26-17(23)14-21(2)20(25)27-19(16-12-8-5-9-13-16)22(21)18(24)15-10-6-4-7-11-15/h4-13,19H,3,14H2,1-2H3
InChIKeyPZJIKKSTYYIFPV-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.10
Rot. Bonds5

About ethyl 2-(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)acetate

ethyl 2-(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)acetate (PubChem CID 5130810) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is ethyl 2-(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)acetate
PubChem CID5130810
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Nameethyl 2-(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)acetate
SMILESCCOC(=O)CC1(C)C(=O)OC(c2ccccc2)N1C(=O)c1ccccc1
InChIInChI=1S/C21H21NO5/c1-3-26-17(23)14-21(2)20(25)27-19(16-12-8-5-9-13-16)22(21)18(24)15-10-6-4-7-11-15/h4-13,19H,3,14H2,1-2H3
InChIKeyPZJIKKSTYYIFPV-UHFFFAOYSA-N
XLogP3.10
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate
CID 1121702
2-(1,3-Dioxoisoindolin-2-yl)ethyl benzoate
CID 711247
Benzyl 2-(dibenzoylamino)acetate
CID 272865
Benzyl 5-oxo-4-(2-oxo-2-phenacyloxyethyl)-1,3-oxazolidine-3-carboxylate
CID 652362
1-O-benzyl 2-O-methyl (2S,3aS,7aS)-3a-benzoyloxy-6-oxo-2,3,7,7a-tetrahydroindole-1,2-dicarboxylate
CID 5461482
(2-benzyl-3-oxo-1H-isoindol-1-yl) propanoate
CID 9550758
Benzyl 1-benzoyl-2-benzylpyrrolidine-2-carboxylate
CID 46884786
Isocaproic acid, 2-benzamido-, benzyl ester
CID 569675
N-(3-(Benzoyloxy)-1-methylbutyl)-N-methylbenzamide
CID 90020922
Methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate
CID 2801513
(4-Fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 3559613

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)acetate?
The IUPAC name of ethyl 2-(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)acetate (CID 5130810) is ethyl 2-(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)acetate is CCOC(=O)CC1(C)C(=O)OC(c2ccccc2)N1C(=O)c1ccccc1.
What is the InChIKey of ethyl 2-(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)acetate?
The InChIKey is PZJIKKSTYYIFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-3-26-17(23)14-21(2)20(25)27-19(16-12-8-5-9-13-16)22(21)18(24)15-10-6-4-7-11-15/h4-13,19H,3,14H2,1-2H3.
What are the key properties of ethyl 2-(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)acetate?
ethyl 2-(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)acetate has a molecular weight of 367.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)acetate is sourced from PubChem (CID 5130810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).