(4Z)-2-tert-butyl-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one

C16H20N2O2 — CID 6021744

IUPAC(4Z)-2-tert-butyl-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one
SMILESCN(C)c1ccc(/C=C2\N=C(C(C)(C)C)OC2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-16(2,3)15-17-13(14(19)20-15)10-11-6-8-12(9-7-11)18(4)5/h6-10H,1-5H3/b13-10-
InChIKeyOOWGHLABTUODED-RAXLEYEMSA-N
MW272.35 g/mol
LogP3.09
Rot. Bonds2

About (4Z)-2-tert-butyl-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one

(4Z)-2-tert-butyl-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 6021744) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (4Z)-2-tert-butyl-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-tert-butyl-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID6021744
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(4Z)-2-tert-butyl-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one
SMILESCN(C)c1ccc(/C=C2\N=C(C(C)(C)C)OC2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-16(2,3)15-17-13(14(19)20-15)10-11-6-8-12(9-7-11)18(4)5/h6-10H,1-5H3/b13-10-
InChIKeyOOWGHLABTUODED-RAXLEYEMSA-N
XLogP3.09
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Acrylic acid, 2-cyano-3-(4-diethylaminophenyl)-, ethyl ester
CID 728729
dimethyl 2-[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]propanedioate
CID 168270720
Mcaad-3
CID 168286603
4-(4-Diethylamino-benzylidene)-2-phenyl-4H-oxazol-5-one
CID 708358
4-[4-(dimethylamino)benzylidene]-2-methyl-1,3-oxazol-5(4H)-one
CID 5388458
Ethyl 2-Cyano-3-[4-(dimethylamino)phenyl]acrylate
CID 668189
ethyl (2Z)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 1550954
Ethyl 3-(4-(dimethylamino)phenyl)acrylate
CID 5376237
Methyl 4-(dimethylamino)cinnamate
CID 6440195
Ethyl alpha-cyano-4-(diethylamino)cinnamate
CID 43929
Ethyl alpha-cyano-4-(dimethylamino)cinnamate
CID 242544
6-[(1E,3E)-4-(4-dimethylaminophenyl)buta-1,3-dienyl]-4-methoxy-pyran-2-one
CID 57395294

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-tert-butyl-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-tert-butyl-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one (CID 6021744) is (4Z)-2-tert-butyl-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-tert-butyl-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-tert-butyl-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one is CN(C)c1ccc(/C=C2\N=C(C(C)(C)C)OC2=O)cc1.
What is the InChIKey of (4Z)-2-tert-butyl-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is OOWGHLABTUODED-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2,3)15-17-13(14(19)20-15)10-11-6-8-12(9-7-11)18(4)5/h6-10H,1-5H3/b13-10-.
What are the key properties of (4Z)-2-tert-butyl-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-tert-butyl-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 272.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-tert-butyl-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6021744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).