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

C23H15F2NO3 — CID 2875509

IUPAC2-(3-fluorophenyl)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(F)c2)=NC1=Cc1ccccc1OCc1ccccc1F
InChIInChI=1S/C23H15F2NO3/c24-18-9-5-8-16(12-18)22-26-20(23(27)29-22)13-15-6-2-4-11-21(15)28-14-17-7-1-3-10-19(17)25/h1-13H,14H2
InChIKeyOHQPFBJMHXPUAA-UHFFFAOYSA-N
MW391.37 g/mol
LogP4.89
Rot. Bonds5

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

2-(3-fluorophenyl)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 2875509) has the molecular formula C23H15F2NO3 and a molecular weight of 391.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID2875509
Molecular FormulaC23H15F2NO3
Molecular Weight391.37 g/mol
Exact Mass391.10
IUPAC Name2-(3-fluorophenyl)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(F)c2)=NC1=Cc1ccccc1OCc1ccccc1F
InChIInChI=1S/C23H15F2NO3/c24-18-9-5-8-16(12-18)22-26-20(23(27)29-22)13-15-6-2-4-11-21(15)28-14-17-7-1-3-10-19(17)25/h1-13H,14H2
InChIKeyOHQPFBJMHXPUAA-UHFFFAOYSA-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

(4Z)-2-(3,4-dichlorophenyl)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19672734
(4Z)-2-(3-fluorophenyl)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 17379354
4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 2875075
(4Z)-2-(2-fluorophenyl)-4-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19668873
4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3098301
(4Z)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5-one
CID 19666894
(4Z)-2-(4-methylphenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19664483
(4Z)-4-[[3,5-diiodo-4-[(2-iodophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 19665986
(4Z)-2-(3-fluorophenyl)-4-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19666154
(4Z)-2-(4-bromophenyl)-4-[[2-[(2-bromophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19662915
(4E)-2-(3-methoxyphenyl)-4-[(2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2180782
(4Z)-2-(4-iodophenyl)-4-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19670595

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(3-fluorophenyl)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one (CID 2875509) is 2-(3-fluorophenyl)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(3-fluorophenyl)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one is O=C1OC(c2cccc(F)c2)=NC1=Cc1ccccc1OCc1ccccc1F.
What is the InChIKey of 2-(3-fluorophenyl)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is OHQPFBJMHXPUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2NO3/c24-18-9-5-8-16(12-18)22-26-20(23(27)29-22)13-15-6-2-4-11-21(15)28-14-17-7-1-3-10-19(17)25/h1-13H,14H2.
What are the key properties of 2-(3-fluorophenyl)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one?
2-(3-fluorophenyl)-4-[[2-[(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 2-(3-fluorophenyl)-4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 2875509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).