3-anilino-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one

C12H14N2O2 — CID 534310

IUPAC3-anilino-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
SMILESC=C1N(Nc2ccccc2)C(=O)OC1(C)C
InChIInChI=1S/C12H14N2O2/c1-9-12(2,3)16-11(15)14(9)13-10-7-5-4-6-8-10/h4-8,13H,1H2,2-3H3
InChIKeyWKYCHULMSWSTFE-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.76
Rot. Bonds2

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

3-anilino-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one (PubChem CID 534310) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-anilino-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-anilino-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
PubChem CID534310
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-anilino-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
SMILESC=C1N(Nc2ccccc2)C(=O)OC1(C)C
InChIInChI=1S/C12H14N2O2/c1-9-12(2,3)16-11(15)14(9)13-10-7-5-4-6-8-10/h4-8,13H,1H2,2-3H3
InChIKeyWKYCHULMSWSTFE-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-phenyl(tert-butoxy)carbohydrazide
CID 3729801
2-Oxazolidinone, 4-hydroxy-4,5,5-trimethyl-3-(phenylamino)-
CID 4044349
3-Anilino-5-ethyl-4-hydroxy-4,5-dimethyl-1,3-oxazolidin-2-one
CID 4912910
5-Ethyl-5-methyl-4-methylidene-3-(phenylamino)-1,3-oxazolidin-2-one
CID 4912911
3-Anilino-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 13045985
tert-Butyl 1-methyl-2-phenylhydrazine-1-carboxylate
CID 44119434
3-[(2-Fluorophenyl)amino]-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 5305247
4-Hydroxy-4,5-dimethyl-5-(4-methyl-3-pentenyl)-3-phenylaminooxazolidin-2-one
CID 4081668
4-Hydroxy-4-methyl-3-phenylaminooxazolidin-2-one
CID 129784250
4-Methylene-3-phenylaminooxazolidin-2-one
CID 129784748
3-[(4-Fluorophenyl)amino]-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 5305250
(4R)-3-(2-fluoroanilino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 7355945

Frequently Asked Questions

What is the IUPAC name of 3-anilino-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
The IUPAC name of 3-anilino-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one (CID 534310) is 3-anilino-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-anilino-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 3-anilino-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one is C=C1N(Nc2ccccc2)C(=O)OC1(C)C.
What is the InChIKey of 3-anilino-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
The InChIKey is WKYCHULMSWSTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-12(2,3)16-11(15)14(9)13-10-7-5-4-6-8-10/h4-8,13H,1H2,2-3H3.
What are the key properties of 3-anilino-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
3-anilino-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one has a molecular weight of 218.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 534310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).