(5E)-3-tert-butyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione

C16H19NO5 — CID 20715573

IUPAC(5E)-3-tert-butyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESCOc1ccc(/C=C2/OC(=O)N(C(C)(C)C)C2=O)c(OC)c1
InChIInChI=1S/C16H19NO5/c1-16(2,3)17-14(18)13(22-15(17)19)8-10-6-7-11(20-4)9-12(10)21-5/h6-9H,1-5H3/b13-8+
InChIKeyMPFCVPIEZQVATB-MDWZMJQESA-N
MW305.33 g/mol
LogP2.82
Rot. Bonds3

About (5E)-3-tert-butyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione

(5E)-3-tert-butyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 20715573) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is (5E)-3-tert-butyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-tert-butyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
PubChem CID20715573
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name(5E)-3-tert-butyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESCOc1ccc(/C=C2/OC(=O)N(C(C)(C)C)C2=O)c(OC)c1
InChIInChI=1S/C16H19NO5/c1-16(2,3)17-14(18)13(22-15(17)19)8-10-6-7-11(20-4)9-12(10)21-5/h6-9H,1-5H3/b13-8+
InChIKeyMPFCVPIEZQVATB-MDWZMJQESA-N
XLogP2.82
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(2,4-dimethoxyphenyl)methylidene]oxane-2,6-dione
CID 82159960
(1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
CID 5393187
2-[(2,4-dimethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CID 2857230
5-[(2,4-dimethoxyphenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 1047652
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 754604
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1380844
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
CID 2261716
methyl (2S)-2-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 126076856
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2185799
(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-7-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-hydroxy-1-benzofuran-3-one
CID 29105021
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 2288321
(5E)-1-cyclohexyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1380858

Frequently Asked Questions

What is the IUPAC name of (5E)-3-tert-butyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5E)-3-tert-butyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione (CID 20715573) is (5E)-3-tert-butyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-tert-butyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5E)-3-tert-butyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione is COc1ccc(/C=C2/OC(=O)N(C(C)(C)C)C2=O)c(OC)c1.
What is the InChIKey of (5E)-3-tert-butyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The InChIKey is MPFCVPIEZQVATB-MDWZMJQESA-N. The full InChI is InChI=1S/C16H19NO5/c1-16(2,3)17-14(18)13(22-15(17)19)8-10-6-7-11(20-4)9-12(10)21-5/h6-9H,1-5H3/b13-8+.
What are the key properties of (5E)-3-tert-butyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
(5E)-3-tert-butyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 305.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-tert-butyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 20715573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).