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

C20H12N2O5 — CID 2301119

IUPAC(4Z)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C20H12N2O5/c23-20-16(19(21-27-20)13-6-2-1-3-7-13)12-14-10-11-18(26-14)15-8-4-5-9-17(15)22(24)25/h1-12H/b16-12-
InChIKeyVAMAFXSLFIRNIV-VBKFSLOCSA-N
MW360.33 g/mol
LogP4.20
Rot. Bonds4

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

(4Z)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one (PubChem CID 2301119) has the molecular formula C20H12N2O5 and a molecular weight of 360.33 g/mol. Its IUPAC name is (4Z)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one
PubChem CID2301119
Molecular FormulaC20H12N2O5
Molecular Weight360.33 g/mol
Exact Mass360.07
IUPAC Name(4Z)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C20H12N2O5/c23-20-16(19(21-27-20)13-6-2-1-3-7-13)12-14-10-11-18(26-14)15-8-4-5-9-17(15)22(24)25/h1-12H/b16-12-
InChIKeyVAMAFXSLFIRNIV-VBKFSLOCSA-N
XLogP4.20
TPSA94.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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 (4Z)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The IUPAC name of (4Z)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one (CID 2301119) is (4Z)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one is O=C1ON=C(c2ccccc2)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of (4Z)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The InChIKey is VAMAFXSLFIRNIV-VBKFSLOCSA-N. The full InChI is InChI=1S/C20H12N2O5/c23-20-16(19(21-27-20)13-6-2-1-3-7-13)12-14-10-11-18(26-14)15-8-4-5-9-17(15)22(24)25/h1-12H/b16-12-.
What are the key properties of (4Z)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one?
(4Z)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one has a molecular weight of 360.33 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 2301119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).