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

C25H19F2NO4 — CID 19668884

IUPAC(4Z)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
SMILESCCOc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OCc1ccccc1F
InChIInChI=1S/C25H19F2NO4/c1-2-30-23-14-16(11-12-22(23)31-15-17-7-3-5-9-19(17)26)13-21-25(29)32-24(28-21)18-8-4-6-10-20(18)27/h3-14H,2,15H2,1H3/b21-13-
InChIKeyXMWAPONOICJAHY-BKUYFWCQSA-N
MW435.43 g/mol
LogP5.29
Rot. Bonds7

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

(4Z)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one (PubChem CID 19668884) has the molecular formula C25H19F2NO4 and a molecular weight of 435.43 g/mol. Its IUPAC name is (4Z)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
PubChem CID19668884
Molecular FormulaC25H19F2NO4
Molecular Weight435.43 g/mol
Exact Mass435.13
IUPAC Name(4Z)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
SMILESCCOc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OCc1ccccc1F
InChIInChI=1S/C25H19F2NO4/c1-2-30-23-14-16(11-12-22(23)31-15-17-7-3-5-9-19(17)26)13-21-25(29)32-24(28-21)18-8-4-6-10-20(18)27/h3-14H,2,15H2,1H3/b21-13-
InChIKeyXMWAPONOICJAHY-BKUYFWCQSA-N
XLogP5.29
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.43
LogP ≤ 55.29
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-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 2875008
4-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
CID 2875047
4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
CID 3369007
4-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
CID 3829545
(4Z)-4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 19667911
(4Z)-2-(2-chloro-4-nitrophenyl)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19674172
(4Z)-2-(4-ethoxyphenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 126015810
4-[(3,4-diethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2865589
(4E)-4-[(3-butoxy-4-methoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
CID 75460170
(4Z)-2-(2-fluorophenyl)-4-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 19668954
(4Z)-4-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
CID 19670585
(4Z)-4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]-2-(2-ethoxyphenyl)-1,3-oxazol-5-one
CID 9312987

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one (CID 19668884) is (4Z)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one is CCOc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OCc1ccccc1F.
What is the InChIKey of (4Z)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one?
The InChIKey is XMWAPONOICJAHY-BKUYFWCQSA-N. The full InChI is InChI=1S/C25H19F2NO4/c1-2-30-23-14-16(11-12-22(23)31-15-17-7-3-5-9-19(17)26)13-21-25(29)32-24(28-21)18-8-4-6-10-20(18)27/h3-14H,2,15H2,1H3/b21-13-.
What are the key properties of (4Z)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one?
(4Z)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one has a molecular weight of 435.43 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 19668884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).