3-anilino-5-ethyl-5-methyl-4-methylidene-1,3-oxazolidin-2-one

C13H16N2O2 — CID 4912911

IUPAC3-anilino-5-ethyl-5-methyl-4-methylidene-1,3-oxazolidin-2-one
SMILESC=C1N(Nc2ccccc2)C(=O)OC1(C)CC
InChIInChI=1S/C13H16N2O2/c1-4-13(3)10(2)15(12(16)17-13)14-11-8-6-5-7-9-11/h5-9,14H,2,4H2,1,3H3
InChIKeyPDGRHSZQYHDZTG-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.15
Rot. Bonds3

About 3-anilino-5-ethyl-5-methyl-4-methylidene-1,3-oxazolidin-2-one

3-anilino-5-ethyl-5-methyl-4-methylidene-1,3-oxazolidin-2-one (PubChem CID 4912911) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-anilino-5-ethyl-5-methyl-4-methylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-anilino-5-ethyl-5-methyl-4-methylidene-1,3-oxazolidin-2-one
PubChem CID4912911
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-anilino-5-ethyl-5-methyl-4-methylidene-1,3-oxazolidin-2-one
SMILESC=C1N(Nc2ccccc2)C(=O)OC1(C)CC
InChIInChI=1S/C13H16N2O2/c1-4-13(3)10(2)15(12(16)17-13)14-11-8-6-5-7-9-11/h5-9,14H,2,4H2,1,3H3
InChIKeyPDGRHSZQYHDZTG-UHFFFAOYSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-5-ethyl-5-methyl-4-methylidene-1,3-oxazolidin-2-one?
The IUPAC name of 3-anilino-5-ethyl-5-methyl-4-methylidene-1,3-oxazolidin-2-one (CID 4912911) is 3-anilino-5-ethyl-5-methyl-4-methylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-anilino-5-ethyl-5-methyl-4-methylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 3-anilino-5-ethyl-5-methyl-4-methylidene-1,3-oxazolidin-2-one is C=C1N(Nc2ccccc2)C(=O)OC1(C)CC.
What is the InChIKey of 3-anilino-5-ethyl-5-methyl-4-methylidene-1,3-oxazolidin-2-one?
The InChIKey is PDGRHSZQYHDZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-13(3)10(2)15(12(16)17-13)14-11-8-6-5-7-9-11/h5-9,14H,2,4H2,1,3H3.
What are the key properties of 3-anilino-5-ethyl-5-methyl-4-methylidene-1,3-oxazolidin-2-one?
3-anilino-5-ethyl-5-methyl-4-methylidene-1,3-oxazolidin-2-one has a molecular weight of 232.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-5-ethyl-5-methyl-4-methylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 4912911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).