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

C20H11FN2O5 — CID 2199559

IUPAC(4E)-2-(3-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C20H11FN2O5/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+
InChIKeyCCACFHBQEJMMNK-LFIBNONCSA-N
MW378.32 g/mol
LogP4.34
Rot. Bonds4

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

(4E)-2-(3-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one (PubChem CID 2199559) has the molecular formula C20H11FN2O5 and a molecular weight of 378.32 g/mol. Its IUPAC name is (4E)-2-(3-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-(3-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
PubChem CID2199559
Molecular FormulaC20H11FN2O5
Molecular Weight378.32 g/mol
Exact Mass378.07
IUPAC Name(4E)-2-(3-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C20H11FN2O5/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+
InChIKeyCCACFHBQEJMMNK-LFIBNONCSA-N
XLogP4.34
TPSA94.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 54.34
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'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-(3-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-(3-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one (CID 2199559) is (4E)-2-(3-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-(3-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-(3-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one is O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of (4E)-2-(3-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one?
The InChIKey is CCACFHBQEJMMNK-LFIBNONCSA-N. The full InChI is InChI=1S/C20H11FN2O5/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 (4E)-2-(3-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one?
(4E)-2-(3-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one has a molecular weight of 378.32 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(3-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 2199559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).