3-benzyl-5-methyl-1,3-oxazolidine-2,4-dione

C11H11NO3 — CID 53355704

IUPAC3-benzyl-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCC1OC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C11H11NO3/c1-8-10(13)12(11(14)15-8)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyXBFXNORSBOKBTO-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.55
Rot. Bonds2

About 3-benzyl-5-methyl-1,3-oxazolidine-2,4-dione

3-benzyl-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 53355704) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-benzyl-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-methyl-1,3-oxazolidine-2,4-dione
PubChem CID53355704
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-benzyl-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCC1OC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C11H11NO3/c1-8-10(13)12(11(14)15-8)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyXBFXNORSBOKBTO-UHFFFAOYSA-N
XLogP1.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 2793798
2,4-Oxazolidinedione, 3-benzyl-
CID 230350
5,5-Dimethyl-3-(phenylmethyl)-2,4-oxazolidinedione
CID 232547
Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1)
CID 65515
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
1-Benzyl-3-hydroxypyrrolidin-2-one
CID 219255
4-Benzylmorpholine-3,5-dione
CID 1214546
N-benzyl-2-ethoxy-N-ethylacetamide
CID 2162886
ethyl N-benzyl-N-methyloxamate
CID 124872
3-Benzoyl-1,3-oxazolidin-2-one
CID 839850
2,4-Oxazolidinedione, 3-((dibenzylamino)methyl)-5,5-dimethyl-
CID 201847
2-Oxazolidinone, 3-benzyl-5-(2-propynyloxymethyl)-
CID 211831

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-benzyl-5-methyl-1,3-oxazolidine-2,4-dione (CID 53355704) is 3-benzyl-5-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-methyl-1,3-oxazolidine-2,4-dione is CC1OC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-5-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is XBFXNORSBOKBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-8-10(13)12(11(14)15-8)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 3-benzyl-5-methyl-1,3-oxazolidine-2,4-dione?
3-benzyl-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 205.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 53355704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).