4-hydroxy-4,5,5-trimethyl-3-[2-(4-methylphenoxy)ethyl]-1,3-oxazolidin-2-one

C15H21NO4 — CID 3242959

IUPAC4-hydroxy-4,5,5-trimethyl-3-[2-(4-methylphenoxy)ethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(OCCN2C(=O)OC(C)(C)C2(C)O)cc1
InChIInChI=1S/C15H21NO4/c1-11-5-7-12(8-6-11)19-10-9-16-13(17)20-14(2,3)15(16,4)18/h5-8,18H,9-10H2,1-4H3
InChIKeyFQXCWHGYDSCUEK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.31
Rot. Bonds4

About 4-hydroxy-4,5,5-trimethyl-3-[2-(4-methylphenoxy)ethyl]-1,3-oxazolidin-2-one

4-hydroxy-4,5,5-trimethyl-3-[2-(4-methylphenoxy)ethyl]-1,3-oxazolidin-2-one (PubChem CID 3242959) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-hydroxy-4,5,5-trimethyl-3-[2-(4-methylphenoxy)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-4,5,5-trimethyl-3-[2-(4-methylphenoxy)ethyl]-1,3-oxazolidin-2-one
PubChem CID3242959
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name4-hydroxy-4,5,5-trimethyl-3-[2-(4-methylphenoxy)ethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(OCCN2C(=O)OC(C)(C)C2(C)O)cc1
InChIInChI=1S/C15H21NO4/c1-11-5-7-12(8-6-11)19-10-9-16-13(17)20-14(2,3)15(16,4)18/h5-8,18H,9-10H2,1-4H3
InChIKeyFQXCWHGYDSCUEK-UHFFFAOYSA-N
XLogP2.31
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4,5,5-trimethyl-3-[2-(4-methylphenoxy)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-hydroxy-4,5,5-trimethyl-3-[2-(4-methylphenoxy)ethyl]-1,3-oxazolidin-2-one (CID 3242959) is 4-hydroxy-4,5,5-trimethyl-3-[2-(4-methylphenoxy)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-hydroxy-4,5,5-trimethyl-3-[2-(4-methylphenoxy)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-hydroxy-4,5,5-trimethyl-3-[2-(4-methylphenoxy)ethyl]-1,3-oxazolidin-2-one is Cc1ccc(OCCN2C(=O)OC(C)(C)C2(C)O)cc1.
What is the InChIKey of 4-hydroxy-4,5,5-trimethyl-3-[2-(4-methylphenoxy)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is FQXCWHGYDSCUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-5-7-12(8-6-11)19-10-9-16-13(17)20-14(2,3)15(16,4)18/h5-8,18H,9-10H2,1-4H3.
What are the key properties of 4-hydroxy-4,5,5-trimethyl-3-[2-(4-methylphenoxy)ethyl]-1,3-oxazolidin-2-one?
4-hydroxy-4,5,5-trimethyl-3-[2-(4-methylphenoxy)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4,5,5-trimethyl-3-[2-(4-methylphenoxy)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3242959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).