2,2-dimethyl-5-[[2-(1,3-oxazol-5-yl)anilino]methylidene]-1,3-dioxane-4,6-dione

C16H14N2O5 — CID 168537289

IUPAC2,2-dimethyl-5-[[2-(1,3-oxazol-5-yl)anilino]methylidene]-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=CNc2ccccc2-c2cnco2)C(=O)O1
InChIInChI=1S/C16H14N2O5/c1-16(2)22-14(19)11(15(20)23-16)7-18-12-6-4-3-5-10(12)13-8-17-9-21-13/h3-9,18H,1-2H3
InChIKeyMXEVRIWYEJYHSU-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.47
Rot. Bonds3

About 2,2-dimethyl-5-[[2-(1,3-oxazol-5-yl)anilino]methylidene]-1,3-dioxane-4,6-dione

2,2-dimethyl-5-[[2-(1,3-oxazol-5-yl)anilino]methylidene]-1,3-dioxane-4,6-dione (PubChem CID 168537289) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[2-(1,3-oxazol-5-yl)anilino]methylidene]-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-5-[[2-(1,3-oxazol-5-yl)anilino]methylidene]-1,3-dioxane-4,6-dione
PubChem CID168537289
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name2,2-dimethyl-5-[[2-(1,3-oxazol-5-yl)anilino]methylidene]-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=CNc2ccccc2-c2cnco2)C(=O)O1
InChIInChI=1S/C16H14N2O5/c1-16(2)22-14(19)11(15(20)23-16)7-18-12-6-4-3-5-10(12)13-8-17-9-21-13/h3-9,18H,1-2H3
InChIKeyMXEVRIWYEJYHSU-UHFFFAOYSA-N
XLogP2.47
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-5-[[2-(4-oxo-3,1-benzoxazin-2-yl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168540448
5-[(2-tert-butylsulfanylanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537541
2,2-dimethyl-5-[[2-[4-(trifluoromethoxy)phenyl]anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168539651
2,2-dimethyl-5-[(2-pyrrol-1-ylanilino)methylidene]-1,3-dioxane-4,6-dione
CID 168536968
ethyl 2-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]-1,3-oxazole-4-carboxylate
CID 168539099
5-[(2,3-difluoroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168541140
5-[(2-fluoro-3-methylanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 162001291
5-[[2-(5-bromopyrimidin-2-yl)sulfanylanilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537304
2,2-dimethyl-5-[[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)amino]methylidene]-1,3-dioxane-4,6-dione
CID 168539108
2,2-dimethyl-5-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168539503
2,2-dimethyl-5-[[2-(3-methylpyrazol-1-yl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168539952
5-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537225

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[[2-(1,3-oxazol-5-yl)anilino]methylidene]-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2-dimethyl-5-[[2-(1,3-oxazol-5-yl)anilino]methylidene]-1,3-dioxane-4,6-dione (CID 168537289) is 2,2-dimethyl-5-[[2-(1,3-oxazol-5-yl)anilino]methylidene]-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-5-[[2-(1,3-oxazol-5-yl)anilino]methylidene]-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-5-[[2-(1,3-oxazol-5-yl)anilino]methylidene]-1,3-dioxane-4,6-dione is CC1(C)OC(=O)C(=CNc2ccccc2-c2cnco2)C(=O)O1.
What is the InChIKey of 2,2-dimethyl-5-[[2-(1,3-oxazol-5-yl)anilino]methylidene]-1,3-dioxane-4,6-dione?
The InChIKey is MXEVRIWYEJYHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-16(2)22-14(19)11(15(20)23-16)7-18-12-6-4-3-5-10(12)13-8-17-9-21-13/h3-9,18H,1-2H3.
What are the key properties of 2,2-dimethyl-5-[[2-(1,3-oxazol-5-yl)anilino]methylidene]-1,3-dioxane-4,6-dione?
2,2-dimethyl-5-[[2-(1,3-oxazol-5-yl)anilino]methylidene]-1,3-dioxane-4,6-dione has a molecular weight of 314.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[[2-(1,3-oxazol-5-yl)anilino]methylidene]-1,3-dioxane-4,6-dione is sourced from PubChem (CID 168537289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).