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

C15H10N2O6 — CID 9312682

IUPAC(4Z)-2-(4-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methylidene]-1,3-oxazol-5-one
SMILESCOc1ccc(C2=N/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)O2)cc1
InChIInChI=1S/C15H10N2O6/c1-21-10-4-2-9(3-5-10)14-16-12(15(18)23-14)8-11-6-7-13(22-11)17(19)20/h2-8H,1H3/b12-8-
InChIKeyFMBAVYIFAIIYBW-WQLSENKSSA-N
MW314.25 g/mol
LogP2.54
Rot. Bonds4

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

(4Z)-2-(4-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methylidene]-1,3-oxazol-5-one (PubChem CID 9312682) has the molecular formula C15H10N2O6 and a molecular weight of 314.25 g/mol. Its IUPAC name is (4Z)-2-(4-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methylidene]-1,3-oxazol-5-one
PubChem CID9312682
Molecular FormulaC15H10N2O6
Molecular Weight314.25 g/mol
Exact Mass314.05
IUPAC Name(4Z)-2-(4-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methylidene]-1,3-oxazol-5-one
SMILESCOc1ccc(C2=N/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)O2)cc1
InChIInChI=1S/C15H10N2O6/c1-21-10-4-2-9(3-5-10)14-16-12(15(18)23-14)8-11-6-7-13(22-11)17(19)20/h2-8H,1H3/b12-8-
InChIKeyFMBAVYIFAIIYBW-WQLSENKSSA-N
XLogP2.54
TPSA104.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

4-[(5-methylfuran-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 3109540
(4E)-4-[(5-methylfuran-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 805741
(4Z)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 9312652
(4E)-4-[(5-iodofuran-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 20831574
4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 4816005
(4Z)-4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 6214719
(4E)-2-(4-methoxyphenyl)-4-[(2,3,4,5,6-pentafluorophenyl)methylidene]-1,3-oxazol-5-one
CID 20834596
(4E)-4-[(3-methoxyphenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 6157508
(4E)-4-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 5293309
(4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(3,5-dimethoxyphenyl)-1,3-oxazol-5-one
CID 18532725
(4Z)-2-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2258676
2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3875763

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(4-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methylidene]-1,3-oxazol-5-one (CID 9312682) is (4Z)-2-(4-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(4-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(4-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methylidene]-1,3-oxazol-5-one is COc1ccc(C2=N/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)O2)cc1.
What is the InChIKey of (4Z)-2-(4-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methylidene]-1,3-oxazol-5-one?
The InChIKey is FMBAVYIFAIIYBW-WQLSENKSSA-N. The full InChI is InChI=1S/C15H10N2O6/c1-21-10-4-2-9(3-5-10)14-16-12(15(18)23-14)8-11-6-7-13(22-11)17(19)20/h2-8H,1H3/b12-8-.
What are the key properties of (4Z)-2-(4-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(4-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methylidene]-1,3-oxazol-5-one has a molecular weight of 314.25 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 9312682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).