(2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one

C18H17NO4 — CID 92857050

IUPAC(2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one
SMILESCOc1ccc(/C=C2/N[C@@H](c3ccccc3)OC2=O)cc1OC
InChIInChI=1S/C18H17NO4/c1-21-15-9-8-12(11-16(15)22-2)10-14-18(20)23-17(19-14)13-6-4-3-5-7-13/h3-11,17,19H,1-2H3/b14-10+/t17-/m1/s1
InChIKeyFBDVKVMDOVNBFI-IDKBZEPQSA-N
MW311.34 g/mol
LogP2.89
Rot. Bonds4

About (2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one

(2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one (PubChem CID 92857050) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one
PubChem CID92857050
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one
SMILESCOc1ccc(/C=C2/N[C@@H](c3ccccc3)OC2=O)cc1OC
InChIInChI=1S/C18H17NO4/c1-21-15-9-8-12(11-16(15)22-2)10-14-18(20)23-17(19-14)13-6-4-3-5-7-13/h3-11,17,19H,1-2H3/b14-10+/t17-/m1/s1
InChIKeyFBDVKVMDOVNBFI-IDKBZEPQSA-N
XLogP2.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one?
The IUPAC name of (2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one (CID 92857050) is (2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one.
What is the SMILES notation for (2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one?
The canonical SMILES for (2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one is COc1ccc(/C=C2/N[C@@H](c3ccccc3)OC2=O)cc1OC.
What is the InChIKey of (2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one?
The InChIKey is FBDVKVMDOVNBFI-IDKBZEPQSA-N. The full InChI is InChI=1S/C18H17NO4/c1-21-15-9-8-12(11-16(15)22-2)10-14-18(20)23-17(19-14)13-6-4-3-5-7-13/h3-11,17,19H,1-2H3/b14-10+/t17-/m1/s1.
What are the key properties of (2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one?
(2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one has a molecular weight of 311.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 92857050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).