2-(2-fluorophenyl)-4-[[2-[2-(3-methoxyphenoxy)ethoxy]-5-methylphenyl]methylidene]-1,3-oxazol-5-one

C26H22FNO5 — CID 2934721

IUPAC2-(2-fluorophenyl)-4-[[2-[2-(3-methoxyphenoxy)ethoxy]-5-methylphenyl]methylidene]-1,3-oxazol-5-one
SMILESCOc1cccc(OCCOc2ccc(C)cc2C=C2N=C(c3ccccc3F)OC2=O)c1
InChIInChI=1S/C26H22FNO5/c1-17-10-11-24(32-13-12-31-20-7-5-6-19(16-20)30-2)18(14-17)15-23-26(29)33-25(28-23)21-8-3-4-9-22(21)27/h3-11,14-16H,12-13H2,1-2H3
InChIKeyFDOLXTNJMNUIHI-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.95
Rot. Bonds8

About 2-(2-fluorophenyl)-4-[[2-[2-(3-methoxyphenoxy)ethoxy]-5-methylphenyl]methylidene]-1,3-oxazol-5-one

2-(2-fluorophenyl)-4-[[2-[2-(3-methoxyphenoxy)ethoxy]-5-methylphenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 2934721) has the molecular formula C26H22FNO5 and a molecular weight of 447.46 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-[[2-[2-(3-methoxyphenoxy)ethoxy]-5-methylphenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-[[2-[2-(3-methoxyphenoxy)ethoxy]-5-methylphenyl]methylidene]-1,3-oxazol-5-one
PubChem CID2934721
Molecular FormulaC26H22FNO5
Molecular Weight447.46 g/mol
Exact Mass447.15
IUPAC Name2-(2-fluorophenyl)-4-[[2-[2-(3-methoxyphenoxy)ethoxy]-5-methylphenyl]methylidene]-1,3-oxazol-5-one
SMILESCOc1cccc(OCCOc2ccc(C)cc2C=C2N=C(c3ccccc3F)OC2=O)c1
InChIInChI=1S/C26H22FNO5/c1-17-10-11-24(32-13-12-31-20-7-5-6-19(16-20)30-2)18(14-17)15-23-26(29)33-25(28-23)21-8-3-4-9-22(21)27/h3-11,14-16H,12-13H2,1-2H3
InChIKeyFDOLXTNJMNUIHI-UHFFFAOYSA-N
XLogP4.95
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.95
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

(4E)-4-[(3-butoxy-4-methoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
CID 75460170
(4E)-4-[[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6084787
2-(2-fluorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3420366
4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
CID 3369007
4-[[5-methyl-2-[3-(4-methylphenoxy)propoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 2930060
4-[[3-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3574561
4-[[3-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 2934023
(4E)-2-(2-fluorophenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937214
(4E)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2687709
4-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
CID 2875047
(4E)-2-(2-fluorophenyl)-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2199081
(4E)-4-[(2,5-dimethylphenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 2687436

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-[[2-[2-(3-methoxyphenoxy)ethoxy]-5-methylphenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(2-fluorophenyl)-4-[[2-[2-(3-methoxyphenoxy)ethoxy]-5-methylphenyl]methylidene]-1,3-oxazol-5-one (CID 2934721) is 2-(2-fluorophenyl)-4-[[2-[2-(3-methoxyphenoxy)ethoxy]-5-methylphenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4-[[2-[2-(3-methoxyphenoxy)ethoxy]-5-methylphenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-4-[[2-[2-(3-methoxyphenoxy)ethoxy]-5-methylphenyl]methylidene]-1,3-oxazol-5-one is COc1cccc(OCCOc2ccc(C)cc2C=C2N=C(c3ccccc3F)OC2=O)c1.
What is the InChIKey of 2-(2-fluorophenyl)-4-[[2-[2-(3-methoxyphenoxy)ethoxy]-5-methylphenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is FDOLXTNJMNUIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FNO5/c1-17-10-11-24(32-13-12-31-20-7-5-6-19(16-20)30-2)18(14-17)15-23-26(29)33-25(28-23)21-8-3-4-9-22(21)27/h3-11,14-16H,12-13H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-4-[[2-[2-(3-methoxyphenoxy)ethoxy]-5-methylphenyl]methylidene]-1,3-oxazol-5-one?
2-(2-fluorophenyl)-4-[[2-[2-(3-methoxyphenoxy)ethoxy]-5-methylphenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 447.46 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-[[2-[2-(3-methoxyphenoxy)ethoxy]-5-methylphenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 2934721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).