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

C14H6Br3NO3 — CID 19662789

IUPAC(4Z)-2-(4-bromophenyl)-4-[(4,5-dibromofuran-2-yl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(Br)cc2)=N/C1=C\c1cc(Br)c(Br)o1
InChIInChI=1S/C14H6Br3NO3/c15-8-3-1-7(2-4-8)13-18-11(14(19)21-13)6-9-5-10(16)12(17)20-9/h1-6H/b11-6-
InChIKeySYUZSTUTYPJWPX-WDZFZDKYSA-N
MW475.92 g/mol
LogP4.91
Rot. Bonds2

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

(4Z)-2-(4-bromophenyl)-4-[(4,5-dibromofuran-2-yl)methylidene]-1,3-oxazol-5-one (PubChem CID 19662789) has the molecular formula C14H6Br3NO3 and a molecular weight of 475.92 g/mol. Its IUPAC name is (4Z)-2-(4-bromophenyl)-4-[(4,5-dibromofuran-2-yl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-bromophenyl)-4-[(4,5-dibromofuran-2-yl)methylidene]-1,3-oxazol-5-one
PubChem CID19662789
Molecular FormulaC14H6Br3NO3
Molecular Weight475.92 g/mol
Exact Mass472.79
IUPAC Name(4Z)-2-(4-bromophenyl)-4-[(4,5-dibromofuran-2-yl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(Br)cc2)=N/C1=C\c1cc(Br)c(Br)o1
InChIInChI=1S/C14H6Br3NO3/c15-8-3-1-7(2-4-8)13-18-11(14(19)21-13)6-9-5-10(16)12(17)20-9/h1-6H/b11-6-
InChIKeySYUZSTUTYPJWPX-WDZFZDKYSA-N
XLogP4.91
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.92
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665384
(4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one
CID 1103706
(4Z)-4-[(4,5-dibromofuran-2-yl)methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one
CID 19670086
(4Z)-2-(3-bromo-4-iodophenyl)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 19671015
2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 4114586
(4Z)-2-(4-bromophenyl)-4-[(2,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
CID 2180588
(4Z)-2-(3-bromo-4-iodophenyl)-4-[(4-bromophenyl)methylidene]-1,3-oxazol-5-one
CID 19670964
4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one
CID 5146660
4-[(4-bromophenyl)methylidene]-2-(4-tert-butylphenyl)-1,3-oxazol-5-one
CID 3102617
(4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(3,5-dimethoxyphenyl)-1,3-oxazol-5-one
CID 18532725
(4Z)-2-(4-bromophenyl)-4-[(3,5-dibromo-4-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19663038
(4Z)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethoxyphenyl)-1,3-oxazol-5-one
CID 2437082

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-bromophenyl)-4-[(4,5-dibromofuran-2-yl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(4-bromophenyl)-4-[(4,5-dibromofuran-2-yl)methylidene]-1,3-oxazol-5-one (CID 19662789) is (4Z)-2-(4-bromophenyl)-4-[(4,5-dibromofuran-2-yl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(4-bromophenyl)-4-[(4,5-dibromofuran-2-yl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(4-bromophenyl)-4-[(4,5-dibromofuran-2-yl)methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1cc(Br)c(Br)o1.
What is the InChIKey of (4Z)-2-(4-bromophenyl)-4-[(4,5-dibromofuran-2-yl)methylidene]-1,3-oxazol-5-one?
The InChIKey is SYUZSTUTYPJWPX-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H6Br3NO3/c15-8-3-1-7(2-4-8)13-18-11(14(19)21-13)6-9-5-10(16)12(17)20-9/h1-6H/b11-6-.
What are the key properties of (4Z)-2-(4-bromophenyl)-4-[(4,5-dibromofuran-2-yl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(4-bromophenyl)-4-[(4,5-dibromofuran-2-yl)methylidene]-1,3-oxazol-5-one has a molecular weight of 475.92 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-bromophenyl)-4-[(4,5-dibromofuran-2-yl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 19662789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).