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

C20H11BrN2O5 — CID 19669686

IUPAC(4Z)-2-(3-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C20H11BrN2O5/c21-13-5-3-4-12(10-13)19-22-16(20(24)28-19)11-14-8-9-18(27-14)15-6-1-2-7-17(15)23(25)26/h1-11H/b16-11-
InChIKeyPDWOLUHEYIDMCN-WJDWOHSUSA-N
MW439.22 g/mol
LogP4.96
Rot. Bonds4

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

(4Z)-2-(3-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one (PubChem CID 19669686) has the molecular formula C20H11BrN2O5 and a molecular weight of 439.22 g/mol. Its IUPAC name is (4Z)-2-(3-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(3-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
PubChem CID19669686
Molecular FormulaC20H11BrN2O5
Molecular Weight439.22 g/mol
Exact Mass437.99
IUPAC Name(4Z)-2-(3-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C20H11BrN2O5/c21-13-5-3-4-12(10-13)19-22-16(20(24)28-19)11-14-8-9-18(27-14)15-6-1-2-7-17(15)23(25)26/h1-11H/b16-11-
InChIKeyPDWOLUHEYIDMCN-WJDWOHSUSA-N
XLogP4.96
TPSA94.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.22
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4Z)-2-(3-bromophenyl)-4-[[5-(2-nitrophenyl)furan-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

2-(2-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 2875505
2-(4-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 2875320
(4Z)-2-(2,4-dichlorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 19670053
(4Z)-2-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 5440460
(4Z)-2-(3-bromophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 6519658
(4E)-4-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5369590
(4Z)-4-[(5-bromofuran-2-yl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
CID 5441070
(4E)-4-[(5-bromofuran-2-yl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
CID 6967278
4-[(5-methylfuran-2-yl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one
CID 3964122
4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
CID 3570760
(4Z)-2-(2-bromophenyl)-4-[[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 19669602
(4Z)-2-(3-bromophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one
CID 2689849

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(3-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(3-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one (CID 19669686) is (4Z)-2-(3-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(3-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(3-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one is O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of (4Z)-2-(3-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one?
The InChIKey is PDWOLUHEYIDMCN-WJDWOHSUSA-N. The full InChI is InChI=1S/C20H11BrN2O5/c21-13-5-3-4-12(10-13)19-22-16(20(24)28-19)11-14-8-9-18(27-14)15-6-1-2-7-17(15)23(25)26/h1-11H/b16-11-.
What are the key properties of (4Z)-2-(3-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(3-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one has a molecular weight of 439.22 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 19669686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).