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

C23H16FNO3 — CID 3106121

IUPAC2-(3-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(F)c2)=NC1=Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H16FNO3/c24-19-10-5-9-18(14-19)22-25-21(23(26)28-22)13-17-8-4-11-20(12-17)27-15-16-6-2-1-3-7-16/h1-14H,15H2
InChIKeyDFWHDHFBQSMROE-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.75
Rot. Bonds5

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

2-(3-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 3106121) has the molecular formula C23H16FNO3 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID3106121
Molecular FormulaC23H16FNO3
Molecular Weight373.38 g/mol
Exact Mass373.11
IUPAC Name2-(3-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc(F)c2)=NC1=Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H16FNO3/c24-19-10-5-9-18(14-19)22-25-21(23(26)28-22)13-17-8-4-11-20(12-17)27-15-16-6-2-1-3-7-16/h1-14H,15H2
InChIKeyDFWHDHFBQSMROE-UHFFFAOYSA-N
XLogP4.75
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.75
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

(4E)-4-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 124642023
(4Z)-4-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663680
2-[3-(difluoromethoxy)phenyl]-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4070727
4-[(3-ethoxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 2875487
2-(4-fluorophenyl)-4-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 2875397
(4Z)-4-[[3-[(3-fluorophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 19664522
(4Z)-2-(3,4-dichlorophenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19672585
(4Z)-4-[[3-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663657
(4E)-2-(4-ethoxyphenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 126078689
(4Z)-2-(3,4-diethoxyphenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2399125
(4Z)-4-[[3-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665542
(4Z)-4-[[4-[(3-bromophenyl)methoxy]phenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 19665929

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(3-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one (CID 3106121) is 2-(3-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(3-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one is O=C1OC(c2cccc(F)c2)=NC1=Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is DFWHDHFBQSMROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO3/c24-19-10-5-9-18(14-19)22-25-21(23(26)28-22)13-17-8-4-11-20(12-17)27-15-16-6-2-1-3-7-16/h1-14H,15H2.
What are the key properties of 2-(3-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one?
2-(3-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 373.38 g/mol, XLogP of 4.75, 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-[(3-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 3106121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).