3-(3-hydroxy-2,4,5,6-tetramethylphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione

C16H19NO4 — CID 59930731

IUPAC3-(3-hydroxy-2,4,5,6-tetramethylphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
SMILESCC(C)=C1OC(=O)N(c2c(C)c(C)c(C)c(O)c2C)C1=O
InChIInChI=1S/C16H19NO4/c1-7(2)14-15(19)17(16(20)21-14)12-9(4)8(3)10(5)13(18)11(12)6/h18H,1-6H3
InChIKeyJDAFDSKUHHDQDR-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.40
Rot. Bonds1

About 3-(3-hydroxy-2,4,5,6-tetramethylphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione

3-(3-hydroxy-2,4,5,6-tetramethylphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione (PubChem CID 59930731) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(3-hydroxy-2,4,5,6-tetramethylphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-hydroxy-2,4,5,6-tetramethylphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
PubChem CID59930731
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3-(3-hydroxy-2,4,5,6-tetramethylphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
SMILESCC(C)=C1OC(=O)N(c2c(C)c(C)c(C)c(O)c2C)C1=O
InChIInChI=1S/C16H19NO4/c1-7(2)14-15(19)17(16(20)21-14)12-9(4)8(3)10(5)13(18)11(12)6/h18H,1-6H3
InChIKeyJDAFDSKUHHDQDR-UHFFFAOYSA-N
XLogP3.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2,4,5,6-tetramethylphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(3-hydroxy-2,4,5,6-tetramethylphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione (CID 59930731) is 3-(3-hydroxy-2,4,5,6-tetramethylphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(3-hydroxy-2,4,5,6-tetramethylphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(3-hydroxy-2,4,5,6-tetramethylphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione is CC(C)=C1OC(=O)N(c2c(C)c(C)c(C)c(O)c2C)C1=O.
What is the InChIKey of 3-(3-hydroxy-2,4,5,6-tetramethylphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
The InChIKey is JDAFDSKUHHDQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-7(2)14-15(19)17(16(20)21-14)12-9(4)8(3)10(5)13(18)11(12)6/h18H,1-6H3.
What are the key properties of 3-(3-hydroxy-2,4,5,6-tetramethylphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
3-(3-hydroxy-2,4,5,6-tetramethylphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione has a molecular weight of 289.33 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2,4,5,6-tetramethylphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 59930731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).