3-anilino-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one

C17H24N2O3 — CID 4081668

IUPAC3-anilino-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one
SMILESCC(C)=CCCC1(C)OC(=O)N(Nc2ccccc2)C1(C)O
InChIInChI=1S/C17H24N2O3/c1-13(2)9-8-12-16(3)17(4,21)19(15(20)22-16)18-14-10-6-5-7-11-14/h5-7,9-11,18,21H,8,12H2,1-4H3
InChIKeyXHXDXFDDRHIQQL-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.68
Rot. Bonds5

About 3-anilino-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one

3-anilino-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one (PubChem CID 4081668) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-anilino-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-anilino-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one
PubChem CID4081668
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-anilino-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one
SMILESCC(C)=CCCC1(C)OC(=O)N(Nc2ccccc2)C1(C)O
InChIInChI=1S/C17H24N2O3/c1-13(2)9-8-12-16(3)17(4,21)19(15(20)22-16)18-14-10-6-5-7-11-14/h5-7,9-11,18,21H,8,12H2,1-4H3
InChIKeyXHXDXFDDRHIQQL-UHFFFAOYSA-N
XLogP3.68
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-anilino-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-anilino-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one (CID 4081668) is 3-anilino-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-anilino-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-anilino-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one is CC(C)=CCCC1(C)OC(=O)N(Nc2ccccc2)C1(C)O.
What is the InChIKey of 3-anilino-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one?
The InChIKey is XHXDXFDDRHIQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(2)9-8-12-16(3)17(4,21)19(15(20)22-16)18-14-10-6-5-7-11-14/h5-7,9-11,18,21H,8,12H2,1-4H3.
What are the key properties of 3-anilino-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one?
3-anilino-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one has a molecular weight of 304.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 4081668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).