3-anilino-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one

C12H16N2O3 — CID 4044349

IUPAC3-anilino-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(Nc2ccccc2)C1(C)O
InChIInChI=1S/C12H16N2O3/c1-11(2)12(3,16)14(10(15)17-11)13-9-7-5-4-6-8-9/h4-8,13,16H,1-3H3
InChIKeyRVHRPQLQKXFIOV-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.95
Rot. Bonds2

About 3-anilino-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one

3-anilino-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one (PubChem CID 4044349) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-anilino-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-anilino-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
PubChem CID4044349
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-anilino-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(Nc2ccccc2)C1(C)O
InChIInChI=1S/C12H16N2O3/c1-11(2)12(3,16)14(10(15)17-11)13-9-7-5-4-6-8-9/h4-8,13,16H,1-3H3
InChIKeyRVHRPQLQKXFIOV-UHFFFAOYSA-N
XLogP1.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-anilino-4-hydroxy-4,5,5-trimethyl-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-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-anilino-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one (CID 4044349) is 3-anilino-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-anilino-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-anilino-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(Nc2ccccc2)C1(C)O.
What is the InChIKey of 3-anilino-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The InChIKey is RVHRPQLQKXFIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-11(2)12(3,16)14(10(15)17-11)13-9-7-5-4-6-8-9/h4-8,13,16H,1-3H3.
What are the key properties of 3-anilino-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one?
3-anilino-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 4044349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).