(4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one

C26H19NO5 — CID 6046039

IUPAC(4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCOc1ccc(C2=C/C(=C3/N=C(c4ccccc4)OC3=O)c3ccccc3O2)cc1OC
InChIInChI=1S/C26H19NO5/c1-29-21-13-12-17(14-23(21)30-2)22-15-19(18-10-6-7-11-20(18)31-22)24-26(28)32-25(27-24)16-8-4-3-5-9-16/h3-15H,1-2H3/b24-19-
InChIKeyFCEDIGZIPNZKIN-CLCOLTQESA-N
MW425.44 g/mol
LogP4.85
Rot. Bonds4

About (4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one

(4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 6046039) has the molecular formula C26H19NO5 and a molecular weight of 425.44 g/mol. Its IUPAC name is (4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID6046039
Molecular FormulaC26H19NO5
Molecular Weight425.44 g/mol
Exact Mass425.13
IUPAC Name(4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCOc1ccc(C2=C/C(=C3/N=C(c4ccccc4)OC3=O)c3ccccc3O2)cc1OC
InChIInChI=1S/C26H19NO5/c1-29-21-13-12-17(14-23(21)30-2)22-15-19(18-10-6-7-11-20(18)31-22)24-26(28)32-25(27-24)16-8-4-3-5-9-16/h3-15H,1-2H3/b24-19-
InChIKeyFCEDIGZIPNZKIN-CLCOLTQESA-N
XLogP4.85
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one (CID 6046039) is (4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one is COc1ccc(C2=C/C(=C3/N=C(c4ccccc4)OC3=O)c3ccccc3O2)cc1OC.
What is the InChIKey of (4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is FCEDIGZIPNZKIN-CLCOLTQESA-N. The full InChI is InChI=1S/C26H19NO5/c1-29-21-13-12-17(14-23(21)30-2)22-15-19(18-10-6-7-11-20(18)31-22)24-26(28)32-25(27-24)16-8-4-3-5-9-16/h3-15H,1-2H3/b24-19-.
What are the key properties of (4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 425.44 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 6046039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).