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

C14H7BrINO3 — CID 5441061

IUPAC(4Z)-2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2Br)=N/C1=C\c1ccc(I)o1
InChIInChI=1S/C14H7BrINO3/c15-10-4-2-1-3-9(10)13-17-11(14(18)20-13)7-8-5-6-12(16)19-8/h1-7H/b11-7-
InChIKeySKWVYGIGLLZYLW-XFFZJAGNSA-N
MW444.02 g/mol
LogP3.99
Rot. Bonds2

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

(4Z)-2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one (PubChem CID 5441061) has the molecular formula C14H7BrINO3 and a molecular weight of 444.02 g/mol. Its IUPAC name is (4Z)-2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
PubChem CID5441061
Molecular FormulaC14H7BrINO3
Molecular Weight444.02 g/mol
Exact Mass442.87
IUPAC Name(4Z)-2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2Br)=N/C1=C\c1ccc(I)o1
InChIInChI=1S/C14H7BrINO3/c15-10-4-2-1-3-9(10)13-17-11(14(18)20-13)7-8-5-6-12(16)19-8/h1-7H/b11-7-
InChIKeySKWVYGIGLLZYLW-XFFZJAGNSA-N
XLogP3.99
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.02
LogP ≤ 53.99
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

2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 1103695
2-(2-fluorophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 1361777
4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3109212
2-(2-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 2875505
2-(2-chloro-5-iodophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 3095638
(4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one
CID 7038457
(4E)-4-[(5-iodofuran-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 20831574
2-(2-bromophenyl)-4-[(2-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 4590383
(4Z)-4-[[5-(2-bromophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 7963728
2-(2-bromophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 603898
2-(2-bromophenyl)-4-(dimethylaminomethylidene)-1,3-oxazol-5-one
CID 3611927
(4Z)-2-(2-bromophenyl)-4-[[3,5-diiodo-4-(2-phenylethoxy)phenyl]methylidene]-1,3-oxazol-5-one
CID 19669520

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one (CID 5441061) is (4Z)-2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccccc2Br)=N/C1=C\c1ccc(I)o1.
What is the InChIKey of (4Z)-2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one?
The InChIKey is SKWVYGIGLLZYLW-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H7BrINO3/c15-10-4-2-1-3-9(10)13-17-11(14(18)20-13)7-8-5-6-12(16)19-8/h1-7H/b11-7-.
What are the key properties of (4Z)-2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one has a molecular weight of 444.02 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2-bromophenyl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 5441061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).