(5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate

C13H13NO5 — CID 155926943

IUPAC(5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate
SMILESCC(=O)OCC1(C)OC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H13NO5/c1-9(15)18-8-13(2)11(16)14(12(17)19-13)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyCNPCPWPMWTUALY-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.49
Rot. Bonds3

About (5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate

(5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate (PubChem CID 155926943) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is (5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate.

Molecular Properties

Compound Name(5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate
PubChem CID155926943
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name(5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate
SMILESCC(=O)OCC1(C)OC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H13NO5/c1-9(15)18-8-13(2)11(16)14(12(17)19-13)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyCNPCPWPMWTUALY-UHFFFAOYSA-N
XLogP1.49
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate
CID 20530498
5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione
CID 102476767
5-benzyl-5-fluoro-3-phenyl-1,3-oxazolidine-2,4-dione
CID 132574285
(5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione
CID 139049260
5-methyl-4-methylidene-3-phenyl-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 46210936
(2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate
CID 132837270
5-[(Z)-but-2-enyl]-5-methyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
CID 46210942
5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 13045960
(5-methyl-2-phenyl-1,3-dioxan-5-yl)methyl 2-methylprop-2-enoate
CID 88985259
3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione;3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione
CID 70598243
[(4S)-2-(4-tert-butylbenzoyl)-4-methyl-3-oxo-1-phenylpyrazolidin-4-yl]methyl acetate
CID 7035367
[(4S)-3,3-dimethyl-2-oxo-4-phenylazetidin-1-yl]methyl acetate
CID 10083311

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate?
The IUPAC name of (5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate (CID 155926943) is (5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate.
What is the SMILES notation for (5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate?
The canonical SMILES for (5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate is CC(=O)OCC1(C)OC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of (5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate?
The InChIKey is CNPCPWPMWTUALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-9(15)18-8-13(2)11(16)14(12(17)19-13)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3.
What are the key properties of (5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate?
(5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate has a molecular weight of 263.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate is sourced from PubChem (CID 155926943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).