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

C15H8INO5 — CID 5285045

IUPAC(4Z)-2-(1,3-benzodioxol-5-yl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(I)o1
InChIInChI=1S/C15H8INO5/c16-13-4-2-9(21-13)6-10-15(18)22-14(17-10)8-1-3-11-12(5-8)20-7-19-11/h1-6H,7H2/b10-6-
InChIKeyNAIWBFVBSNSBAC-POHAHGRESA-N
MW409.14 g/mol
LogP2.96
Rot. Bonds2

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

(4Z)-2-(1,3-benzodioxol-5-yl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one (PubChem CID 5285045) has the molecular formula C15H8INO5 and a molecular weight of 409.14 g/mol. Its IUPAC name is (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(1,3-benzodioxol-5-yl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
PubChem CID5285045
Molecular FormulaC15H8INO5
Molecular Weight409.14 g/mol
Exact Mass408.94
IUPAC Name(4Z)-2-(1,3-benzodioxol-5-yl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(I)o1
InChIInChI=1S/C15H8INO5/c16-13-4-2-9(21-13)6-10-15(18)22-14(17-10)8-1-3-11-12(5-8)20-7-19-11/h1-6H,7H2/b10-6-
InChIKeyNAIWBFVBSNSBAC-POHAHGRESA-N
XLogP2.96
TPSA70.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.14
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-2-(1,3-benzodioxol-5-yl)-4-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 17470387
4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3109212
(4Z)-2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1,3-oxazol-5-one
CID 7779189
(4Z)-2-(1,3-benzodioxol-5-yl)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one
CID 2254285
(4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one
CID 740133
(4E)-2-(1,3-benzodioxol-5-yl)-4-[(4-tert-butylphenyl)methylidene]-1,3-oxazol-5-one
CID 6087765
2-(1,3-benzodioxol-5-yl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 4207374
2-(1,3-benzodioxol-5-yl)-4-[(3-bromophenyl)methylidene]-1,3-oxazol-5-one
CID 590818
(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-iodophenyl)-1,3-oxazol-5-one
CID 20831569
(4E)-2-(1,3-benzodioxol-5-yl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one
CID 754025
(4E)-4-[(5-iodofuran-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 20831574
2-(1,3-benzodioxol-5-yl)-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one
CID 4810515

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one (CID 5285045) is (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(I)o1.
What is the InChIKey of (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one?
The InChIKey is NAIWBFVBSNSBAC-POHAHGRESA-N. The full InChI is InChI=1S/C15H8INO5/c16-13-4-2-9(21-13)6-10-15(18)22-14(17-10)8-1-3-11-12(5-8)20-7-19-11/h1-6H,7H2/b10-6-.
What are the key properties of (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(1,3-benzodioxol-5-yl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one has a molecular weight of 409.14 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 5285045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).