(5E)-5-[(4-decoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione

C20H27NO4 — CID 70296275

IUPAC(5E)-5-[(4-decoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESCCCCCCCCCCOc1ccc(/C=C2/OC(=O)NC2=O)cc1
InChIInChI=1S/C20H27NO4/c1-2-3-4-5-6-7-8-9-14-24-17-12-10-16(11-13-17)15-18-19(22)21-20(23)25-18/h10-13,15H,2-9,14H2,1H3,(H,21,22,23)/b18-15+
InChIKeyAXFVFQUOICGXQJ-OBGWFSINSA-N
MW345.44 g/mol
LogP4.81
Rot. Bonds11

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

(5E)-5-[(4-decoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 70296275) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is (5E)-5-[(4-decoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(4-decoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
PubChem CID70296275
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name(5E)-5-[(4-decoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
SMILESCCCCCCCCCCOc1ccc(/C=C2/OC(=O)NC2=O)cc1
InChIInChI=1S/C20H27NO4/c1-2-3-4-5-6-7-8-9-14-24-17-12-10-16(11-13-17)15-18-19(22)21-20(23)25-18/h10-13,15H,2-9,14H2,1H3,(H,21,22,23)/b18-15+
InChIKeyAXFVFQUOICGXQJ-OBGWFSINSA-N
XLogP4.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis[(4-hexoxyphenyl)methylidene]cyclohexan-1-one
CID 69497980
5-[[4-[5-[4-[(4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]phenoxy]heptoxy]phenyl]methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
CID 154294586
(3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 67601643
(5Z)-5-[(4-pentoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7946619
4-icosoxybenzaldehyde
CID 23127488
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
5-[[4-[5-[4-[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]pentoxy]phenoxy]pentoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142633467
1,4-dipentoxybenzene
CID 18314717
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
CID 174770051

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-decoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(4-decoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione (CID 70296275) is (5E)-5-[(4-decoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(4-decoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(4-decoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione is CCCCCCCCCCOc1ccc(/C=C2/OC(=O)NC2=O)cc1.
What is the InChIKey of (5E)-5-[(4-decoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
The InChIKey is AXFVFQUOICGXQJ-OBGWFSINSA-N. The full InChI is InChI=1S/C20H27NO4/c1-2-3-4-5-6-7-8-9-14-24-17-12-10-16(11-13-17)15-18-19(22)21-20(23)25-18/h10-13,15H,2-9,14H2,1H3,(H,21,22,23)/b18-15+.
What are the key properties of (5E)-5-[(4-decoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione?
(5E)-5-[(4-decoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 345.44 g/mol, XLogP of 4.81, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-decoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 70296275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).