(4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one

C17H11Br2NO4 — CID 19663204

IUPAC(4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESC=CCOc1c(Br)cc(/C=C2\N=C(c3ccco3)OC2=O)cc1Br
InChIInChI=1S/C17H11Br2NO4/c1-2-5-23-15-11(18)7-10(8-12(15)19)9-13-17(21)24-16(20-13)14-4-3-6-22-14/h2-4,6-9H,1,5H2/b13-9-
InChIKeyABANKEVRQXMZJA-LCYFTJDESA-N
MW453.09 g/mol
LogP4.71
Rot. Bonds5

About (4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one

(4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (PubChem CID 19663204) has the molecular formula C17H11Br2NO4 and a molecular weight of 453.09 g/mol. Its IUPAC name is (4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
PubChem CID19663204
Molecular FormulaC17H11Br2NO4
Molecular Weight453.09 g/mol
Exact Mass450.91
IUPAC Name(4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESC=CCOc1c(Br)cc(/C=C2\N=C(c3ccco3)OC2=O)cc1Br
InChIInChI=1S/C17H11Br2NO4/c1-2-5-23-15-11(18)7-10(8-12(15)19)9-13-17(21)24-16(20-13)14-4-3-6-22-14/h2-4,6-9H,1,5H2/b13-9-
InChIKeyABANKEVRQXMZJA-LCYFTJDESA-N
XLogP4.71
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.09
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-[(3,5-dibromo-4-phenylmethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 19663193
(4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665336
(4Z)-4-[[3,5-dibromo-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 19663297
(4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 19664826
[2,6-dibromo-4-[(Z)-[2-(furan-2-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] butanoate
CID 19663237
(4Z)-4-[[3-bromo-4-[(2-bromophenyl)methoxy]-5-ethoxyphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 19663383
(4E)-4-[(4-bromophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 20831515
2-(furan-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5124809
(4Z)-4-[[4-[(3-bromophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 19663366
(4Z)-4-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 19664445
(4Z)-2-(3-bromo-4-iodophenyl)-4-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19671087
4-[(3-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 4015781

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (CID 19663204) is (4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is C=CCOc1c(Br)cc(/C=C2\N=C(c3ccco3)OC2=O)cc1Br.
What is the InChIKey of (4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The InChIKey is ABANKEVRQXMZJA-LCYFTJDESA-N. The full InChI is InChI=1S/C17H11Br2NO4/c1-2-5-23-15-11(18)7-10(8-12(15)19)9-13-17(21)24-16(20-13)14-4-3-6-22-14/h2-4,6-9H,1,5H2/b13-9-.
What are the key properties of (4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
(4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one has a molecular weight of 453.09 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is sourced from PubChem (CID 19663204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).