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

C18H10N2O6 — CID 6260830

IUPAC(4Z)-2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C18H10N2O6/c21-18-14(19-17(26-18)16-2-1-9-24-16)10-13-7-8-15(25-13)11-3-5-12(6-4-11)20(22)23/h1-10H/b14-10-
InChIKeyRVSJSSGLGDWTFS-UVTDQMKNSA-N
MW350.29 g/mol
LogP3.79
Rot. Bonds4

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

(4Z)-2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one (PubChem CID 6260830) has the molecular formula C18H10N2O6 and a molecular weight of 350.29 g/mol. Its IUPAC name is (4Z)-2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
PubChem CID6260830
Molecular FormulaC18H10N2O6
Molecular Weight350.29 g/mol
Exact Mass350.05
IUPAC Name(4Z)-2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C18H10N2O6/c21-18-14(19-17(26-18)16-2-1-9-24-16)10-13-7-8-15(25-13)11-3-5-12(6-4-11)20(22)23/h1-10H/b14-10-
InChIKeyRVSJSSGLGDWTFS-UVTDQMKNSA-N
XLogP3.79
TPSA108.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 53.79
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

2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 5061611
(4Z)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 9313022
(4Z)-2-(4-chloro-3-nitrophenyl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 19662245
N-[4-[4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
CID 2731619
(4Z)-2-(2-chloro-4-nitrophenyl)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 19674024
4-[(5-methylfuran-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 3109540
(4E)-4-[(5-iodofuran-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 20831574
(4E)-4-[(5-methylfuran-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 805741
(4Z)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(2-chloro-5-nitrophenyl)-1,3-oxazol-5-one
CID 5286088
4-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 1353871
2-(3-iodo-4-methylphenyl)-4-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 4303030
(4Z)-4-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
CID 19670552

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one (CID 6260830) is (4Z)-2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccco2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of (4Z)-2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one?
The InChIKey is RVSJSSGLGDWTFS-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H10N2O6/c21-18-14(19-17(26-18)16-2-1-9-24-16)10-13-7-8-15(25-13)11-3-5-12(6-4-11)20(22)23/h1-10H/b14-10-.
What are the key properties of (4Z)-2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one has a molecular weight of 350.29 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(furan-2-yl)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6260830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).