(4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one

C21H18N2O5 — CID 9313372

About (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one

(4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 9313372) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

• Compound Name: (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one
• PubChem CID: 9313372
• Molecular Formula: C21H18N2O5
• Molecular Weight: 378.38 g/mol
• Exact Mass: 378.12
• IUPAC Name: (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one
• SMILES: O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(N2CCOCC2)cc1
• InChI: InChI=1S/C21H18N2O5/c24-21-17(11-14-1-4-16(5-2-14)23-7-9-25-10-8-23)22-20(28-21)15-3-6-18-19(12-15)27-13-26-18/h1-6,11-12H,7-10,13H2/b17-11-
• InChIKey: BSNPHVORYGNVAX-BOPFTXTBSA-N
• XLogP: 2.60
• TPSA: 69.59 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.38
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one?

The IUPAC name of (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one (CID 9313372) is (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one.

What is the SMILES notation for (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one?

The canonical SMILES for (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(N2CCOCC2)cc1.

What is the InChIKey of (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one?

The InChIKey is BSNPHVORYGNVAX-BOPFTXTBSA-N. The full InChI is InChI=1S/C21H18N2O5/c24-21-17(11-14-1-4-16(5-2-14)23-7-9-25-10-8-23)22-20(28-21)15-3-6-18-19(12-15)27-13-26-18/h1-6,11-12H,7-10,13H2/b17-11-.

What are the key properties of (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one?

(4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 378.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 9313372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).