4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one

C26H23NO5 — CID 2899712

IUPAC4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCOc1cc(C=C2N=C(c3ccccc3)OC2=O)ccc1OCCOc1ccccc1C
InChIInChI=1S/C26H23NO5/c1-18-8-6-7-11-22(18)30-14-15-31-23-13-12-19(17-24(23)29-2)16-21-26(28)32-25(27-21)20-9-4-3-5-10-20/h3-13,16-17H,14-15H2,1-2H3
InChIKeyBJCTVURBBAIMHD-UHFFFAOYSA-N
MW429.47 g/mol
LogP4.81
Rot. Bonds8

About 4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one

4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 2899712) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is 4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID2899712
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCOc1cc(C=C2N=C(c3ccccc3)OC2=O)ccc1OCCOc1ccccc1C
InChIInChI=1S/C26H23NO5/c1-18-8-6-7-11-22(18)30-14-15-31-23-13-12-19(17-24(23)29-2)16-21-26(28)32-25(27-21)20-9-4-3-5-10-20/h3-13,16-17H,14-15H2,1-2H3
InChIKeyBJCTVURBBAIMHD-UHFFFAOYSA-N
XLogP4.81
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3518799
(4Z)-4-[[4-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]-3-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 27000900
4-[[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3609992
(4Z)-4-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 2292068
(4E)-4-[[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6084787
4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4280278
4-[[3-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3574561
4-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4150331
(4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 2266935
(4E)-2-(4-fluorophenyl)-4-[[3-methoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 2184929
4-[[5-chloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4198765
(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 920418

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (CID 2899712) is 4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is COc1cc(C=C2N=C(c3ccccc3)OC2=O)ccc1OCCOc1ccccc1C.
What is the InChIKey of 4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is BJCTVURBBAIMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-18-8-6-7-11-22(18)30-14-15-31-23-13-12-19(17-24(23)29-2)16-21-26(28)32-25(27-21)20-9-4-3-5-10-20/h3-13,16-17H,14-15H2,1-2H3.
What are the key properties of 4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 429.47 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 2899712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).