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

C15H19NO4 — CID 72893219

IUPAC5,5-dimethyl-3-(4-phenoxybutyl)-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CCCCOc2ccccc2)C1=O
InChIInChI=1S/C15H19NO4/c1-15(2)13(17)16(14(18)20-15)10-6-7-11-19-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKeyYQUNGAOSSZDAJF-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.60
Rot. Bonds6

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

5,5-dimethyl-3-(4-phenoxybutyl)-1,3-oxazolidine-2,4-dione (PubChem CID 72893219) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5,5-dimethyl-3-(4-phenoxybutyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(4-phenoxybutyl)-1,3-oxazolidine-2,4-dione
PubChem CID72893219
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name5,5-dimethyl-3-(4-phenoxybutyl)-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CCCCOc2ccccc2)C1=O
InChIInChI=1S/C15H19NO4/c1-15(2)13(17)16(14(18)20-15)10-6-7-11-19-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKeyYQUNGAOSSZDAJF-UHFFFAOYSA-N
XLogP2.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(4-phenoxybutyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(4-phenoxybutyl)-1,3-oxazolidine-2,4-dione (CID 72893219) is 5,5-dimethyl-3-(4-phenoxybutyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(4-phenoxybutyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(4-phenoxybutyl)-1,3-oxazolidine-2,4-dione is CC1(C)OC(=O)N(CCCCOc2ccccc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(4-phenoxybutyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is YQUNGAOSSZDAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2)13(17)16(14(18)20-15)10-6-7-11-19-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(4-phenoxybutyl)-1,3-oxazolidine-2,4-dione?
5,5-dimethyl-3-(4-phenoxybutyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 277.32 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(4-phenoxybutyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 72893219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).