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

C23H15F2NO3 — CID 17379354

IUPAC(4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C23H15F2NO3/c24-18-6-3-5-16(13-18)22-26-21(23(27)29-22)12-15-8-10-19(11-9-15)28-14-17-4-1-2-7-20(17)25/h1-13H,14H2/b21-12-
InChIKeyKBLJGKUKQGVUSI-MTJSOVHGSA-N
MW391.37 g/mol
LogP4.89
Rot. Bonds5

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

(4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 17379354) has the molecular formula C23H15F2NO3 and a molecular weight of 391.37 g/mol. Its IUPAC name is (4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID17379354
Molecular FormulaC23H15F2NO3
Molecular Weight391.37 g/mol
Exact Mass391.10
IUPAC Name(4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C23H15F2NO3/c24-18-6-3-5-16(13-18)22-26-21(23(27)29-22)12-15-8-10-19(11-9-15)28-14-17-4-1-2-7-20(17)25/h1-13H,14H2/b21-12-
InChIKeyKBLJGKUKQGVUSI-MTJSOVHGSA-N
XLogP4.89
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenyl)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 2875509
(4Z)-4-[[4-[(3-bromophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 19665929
(4E)-2-(3-fluorophenyl)-4-[(4-pentoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6046867
2-(3-fluorophenyl)-4-[(4-hexoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3905340
2-(3-bromophenyl)-4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 5068286
(4Z)-2-(3-fluorophenyl)-4-[(4-phenacyloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19666103
(4Z)-4-[[3,5-diiodo-4-[(2-iodophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 19665986
2-(3-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3106121
(4Z)-2-(3,4-dichlorophenyl)-4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19672721
(4Z)-4-[[4-[(2-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663705
(4Z)-4-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one
CID 19672771
(4Z)-4-[(3,4-difluorophenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 17487527

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one (CID 17379354) is (4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one is O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of (4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is KBLJGKUKQGVUSI-MTJSOVHGSA-N. The full InChI is InChI=1S/C23H15F2NO3/c24-18-6-3-5-16(13-18)22-26-21(23(27)29-22)12-15-8-10-19(11-9-15)28-14-17-4-1-2-7-20(17)25/h1-13H,14H2/b21-12-.
What are the key properties of (4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 391.37 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 17379354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).