3-anilino-5-ethyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one

C13H18N2O3 — CID 4912910

IUPAC3-anilino-5-ethyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one
SMILESCCC1(C)OC(=O)N(Nc2ccccc2)C1(C)O
InChIInChI=1S/C13H18N2O3/c1-4-12(2)13(3,17)15(11(16)18-12)14-10-8-6-5-7-9-10/h5-9,14,17H,4H2,1-3H3
InChIKeyABVQUKCNLRRHPG-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.34
Rot. Bonds3

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

3-anilino-5-ethyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 4912910) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-anilino-5-ethyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-anilino-5-ethyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID4912910
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-anilino-5-ethyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one
SMILESCCC1(C)OC(=O)N(Nc2ccccc2)C1(C)O
InChIInChI=1S/C13H18N2O3/c1-4-12(2)13(3,17)15(11(16)18-12)14-10-8-6-5-7-9-10/h5-9,14,17H,4H2,1-3H3
InChIKeyABVQUKCNLRRHPG-UHFFFAOYSA-N
XLogP2.34
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-5-ethyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-anilino-5-ethyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one (CID 4912910) is 3-anilino-5-ethyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-anilino-5-ethyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-anilino-5-ethyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one is CCC1(C)OC(=O)N(Nc2ccccc2)C1(C)O.
What is the InChIKey of 3-anilino-5-ethyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is ABVQUKCNLRRHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-12(2)13(3,17)15(11(16)18-12)14-10-8-6-5-7-9-10/h5-9,14,17H,4H2,1-3H3.
What are the key properties of 3-anilino-5-ethyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one?
3-anilino-5-ethyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-5-ethyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 4912910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).