(5Z)-4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione

C20H16N4O5 — CID 5387446

IUPAC(5Z)-4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione
SMILESCCOc1ccccc1N1C(=O)C(=O)C(c2nc3ccccc3o2)/C(=N/N)C1=O
InChIInChI=1S/C20H16N4O5/c1-2-28-14-10-6-4-8-12(14)24-19(26)16(23-21)15(17(25)20(24)27)18-22-11-7-3-5-9-13(11)29-18/h3-10,15H,2,21H2,1H3/b23-16-
InChIKeyZLOAMEJSBQWINK-KQWNVCNZSA-N
MW392.37 g/mol
LogP1.77
Rot. Bonds4

About (5Z)-4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione

(5Z)-4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione (PubChem CID 5387446) has the molecular formula C20H16N4O5 and a molecular weight of 392.37 g/mol. Its IUPAC name is (5Z)-4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione.

Molecular Properties

Compound Name(5Z)-4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione
PubChem CID5387446
Molecular FormulaC20H16N4O5
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC Name(5Z)-4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione
SMILESCCOc1ccccc1N1C(=O)C(=O)C(c2nc3ccccc3o2)/C(=N/N)C1=O
InChIInChI=1S/C20H16N4O5/c1-2-28-14-10-6-4-8-12(14)24-19(26)16(23-21)15(17(25)20(24)27)18-22-11-7-3-5-9-13(11)29-18/h3-10,15H,2,21H2,1H3/b23-16-
InChIKeyZLOAMEJSBQWINK-KQWNVCNZSA-N
XLogP1.77
TPSA128.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione?
The IUPAC name of (5Z)-4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione (CID 5387446) is (5Z)-4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione.
What is the SMILES notation for (5Z)-4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione?
The canonical SMILES for (5Z)-4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione is CCOc1ccccc1N1C(=O)C(=O)C(c2nc3ccccc3o2)/C(=N/N)C1=O.
What is the InChIKey of (5Z)-4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione?
The InChIKey is ZLOAMEJSBQWINK-KQWNVCNZSA-N. The full InChI is InChI=1S/C20H16N4O5/c1-2-28-14-10-6-4-8-12(14)24-19(26)16(23-21)15(17(25)20(24)27)18-22-11-7-3-5-9-13(11)29-18/h3-10,15H,2,21H2,1H3/b23-16-.
What are the key properties of (5Z)-4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione?
(5Z)-4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione has a molecular weight of 392.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-(1,3-benzoxazol-2-yl)-1-(2-ethoxyphenyl)-5-hydrazinylidenepiperidine-2,3,6-trione is sourced from PubChem (CID 5387446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).