5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione

C14H17NO4 — CID 72841415

IUPAC5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CCOCc2ccccc2)C1=O
InChIInChI=1S/C14H17NO4/c1-14(2)12(16)15(13(17)19-14)8-9-18-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyGHTDMRGDINVZSO-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.96
Rot. Bonds5

About 5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione

5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione (PubChem CID 72841415) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione
PubChem CID72841415
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CCOCc2ccccc2)C1=O
InChIInChI=1S/C14H17NO4/c1-14(2)12(16)15(13(17)19-14)8-9-18-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyGHTDMRGDINVZSO-UHFFFAOYSA-N
XLogP1.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-3-(4-phenoxybutyl)-1,3-oxazolidine-2,4-dione
CID 72893219
2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione
CID 51354396
1-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione
CID 144763307
3-(2-phenylmethoxyethyl)imidazolidine-2,4-dione
CID 19829208
5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione
CID 31134282
5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one
CID 21460407
3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 155822812
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate
CID 166604130
8-acetyl-1-(2-methylpropyl)-3-(2-phenylmethoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166623714
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
3-benzyl-1-butyl-8-(2-phenylmethoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 23109484

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione (CID 72841415) is 5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione is CC1(C)OC(=O)N(CCOCc2ccccc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is GHTDMRGDINVZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-14(2)12(16)15(13(17)19-14)8-9-18-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione?
5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 263.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 72841415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).