(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione

C18H23NO4 — CID 10064410

IUPAC(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESCC(C)(C)c1cc(/C=C2\OC(=O)NC2=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H23NO4/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-
InChIKeyJBRIUIQTRLLQOW-LCYFTJDESA-N
MW317.39 g/mol
LogP3.59
Rot. Bonds1

About (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione

(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 10064410) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
PubChem CID10064410
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESCC(C)(C)c1cc(/C=C2\OC(=O)NC2=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H23NO4/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-
InChIKeyJBRIUIQTRLLQOW-LCYFTJDESA-N
XLogP3.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

Ci 987
CID 6444394
5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-2-thioxo-oxazolidin-4-one
CID 10382186
2-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazol-2-yl]guanidine
CID 10428486
(2E,5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-methoxyimino-1,3-oxazolidin-4-one
CID 135502784
(2E,5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-ethoxyimino-1,3-oxazolidin-4-one
CID 135506078
[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-ylidene]cyanamide
CID 135429285
(2E,5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-prop-2-enoxyimino-1,3-oxazolidin-4-one
CID 135537152
5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione
CID 198726
1-[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-ylidene]guanidine
CID 172034949
(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-methoxyimino-1,3-oxazolidin-4-one
CID 136846925
(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-ethoxyimino-1,3-oxazolidin-4-one
CID 136846926
(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-prop-2-enoxyimino-1,3-oxazolidin-4-one
CID 136846927

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione (CID 10064410) is (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione is CC(C)(C)c1cc(/C=C2\OC(=O)NC2=O)cc(C(C)(C)C)c1O.
What is the InChIKey of (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The InChIKey is JBRIUIQTRLLQOW-LCYFTJDESA-N. The full InChI is InChI=1S/C18H23NO4/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-.
What are the key properties of (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 317.39 g/mol, XLogP of 3.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 10064410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).