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

C14H8INO3 — CID 3109212

IUPAC4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1=Cc1ccc(I)o1
InChIInChI=1S/C14H8INO3/c15-12-7-6-10(18-12)8-11-14(17)19-13(16-11)9-4-2-1-3-5-9/h1-8H
InChIKeyYAMTUTBGEQJVPQ-UHFFFAOYSA-N
MW365.13 g/mol
LogP3.23
Rot. Bonds2

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

4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 3109212) has the molecular formula C14H8INO3 and a molecular weight of 365.13 g/mol. Its IUPAC name is 4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID3109212
Molecular FormulaC14H8INO3
Molecular Weight365.13 g/mol
Exact Mass364.95
IUPAC Name4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1=Cc1ccc(I)o1
InChIInChI=1S/C14H8INO3/c15-12-7-6-10(18-12)8-11-14(17)19-13(16-11)9-4-2-1-3-5-9/h1-8H
InChIKeyYAMTUTBGEQJVPQ-UHFFFAOYSA-N
XLogP3.23
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.13
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[(5-iodofuran-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 20831574
(4Z)-2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 5441061
2-(2-fluorophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 1361777
2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 1103695
(4Z)-2-(1,3-benzodioxol-5-yl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 5285045
4-[[5-(4-methylphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 876248
4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 1270631
(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663628
2-(2-chloro-5-iodophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 3095638
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 916385
(4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665384

Frequently Asked Questions

What is the IUPAC name of 4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one (CID 3109212) is 4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=NC1=Cc1ccc(I)o1.
What is the InChIKey of 4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is YAMTUTBGEQJVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8INO3/c15-12-7-6-10(18-12)8-11-14(17)19-13(16-11)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 365.13 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 3109212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).