(4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one

C24H19NO4 — CID 2180782

IUPAC(4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1cccc(C2=N/C(=C/c3ccccc3OCc3ccccc3)C(=O)O2)c1
InChIInChI=1S/C24H19NO4/c1-27-20-12-7-11-19(14-20)23-25-21(24(26)29-23)15-18-10-5-6-13-22(18)28-16-17-8-3-2-4-9-17/h2-15H,16H2,1H3/b21-15+
InChIKeyQHFIAPGQHJWVGG-RCCKNPSSSA-N
MW385.42 g/mol
LogP4.62
Rot. Bonds6

About (4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one

(4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 2180782) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is (4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID2180782
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name(4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1cccc(C2=N/C(=C/c3ccccc3OCc3ccccc3)C(=O)O2)c1
InChIInChI=1S/C24H19NO4/c1-27-20-12-7-11-19(14-20)23-25-21(24(26)29-23)15-18-10-5-6-13-22(18)28-16-17-8-3-2-4-9-17/h2-15H,16H2,1H3/b21-15+
InChIKeyQHFIAPGQHJWVGG-RCCKNPSSSA-N
XLogP4.62
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate
CID 9313319
(4Z)-4-[(2-iodophenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 55346702
4-[[2-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3966051
(4E)-2-(3-methoxyphenyl)-4-[(3-methoxy-2-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6488544
4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4280278
(4Z)-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 19674679
(4Z)-2-(3-methoxyphenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 6079376
(4E)-2-(furan-2-yl)-4-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6488541
(4Z)-2-(3-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2687417
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 6514787
(4Z)-2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6526771
(4Z)-2-(4-nitrophenyl)-4-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19665061

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one (CID 2180782) is (4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one is COc1cccc(C2=N/C(=C/c3ccccc3OCc3ccccc3)C(=O)O2)c1.
What is the InChIKey of (4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is QHFIAPGQHJWVGG-RCCKNPSSSA-N. The full InChI is InChI=1S/C24H19NO4/c1-27-20-12-7-11-19(14-20)23-25-21(24(26)29-23)15-18-10-5-6-13-22(18)28-16-17-8-3-2-4-9-17/h2-15H,16H2,1H3/b21-15+.
What are the key properties of (4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one?
(4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 385.42 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 2180782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).