2-(2-phenylethenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one

C19H12F3NO2 — CID 5017538

IUPAC2-(2-phenylethenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(C=Cc2ccccc2)=NC1=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F3NO2/c20-19(21,22)15-9-5-4-8-14(15)12-16-18(24)25-17(23-16)11-10-13-6-2-1-3-7-13/h1-12H
InChIKeyFCURQQSFSFEHBQ-UHFFFAOYSA-N
MW343.30 g/mol
LogP4.72
Rot. Bonds3

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

2-(2-phenylethenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 5017538) has the molecular formula C19H12F3NO2 and a molecular weight of 343.30 g/mol. Its IUPAC name is 2-(2-phenylethenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(2-phenylethenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID5017538
Molecular FormulaC19H12F3NO2
Molecular Weight343.30 g/mol
Exact Mass343.08
IUPAC Name2-(2-phenylethenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(C=Cc2ccccc2)=NC1=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F3NO2/c20-19(21,22)15-9-5-4-8-14(15)12-16-18(24)25-17(23-16)11-10-13-6-2-1-3-7-13/h1-12H
InChIKeyFCURQQSFSFEHBQ-UHFFFAOYSA-N
XLogP4.72
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-[(E)-2-phenylethenyl]-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 6952353
4-[(2-methoxyphenyl)methylidene]-2-(2-phenylethenyl)-1,3-oxazol-5-one
CID 4044485
(4Z)-4-[(4-methylphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6143864
(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6072081
4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one
CID 5056373
(4E)-2-(2-bromophenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 6183828
(4E)-4-[(4-methylsulfanylphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6368377
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 743940
2-[2-(4-chlorophenyl)ethenyl]-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5-one
CID 5011360
4-benzylidene-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazol-5-one
CID 3377433
2-[2-(4-chlorophenyl)ethenyl]-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 5011359
(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one
CID 6260137

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(2-phenylethenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one (CID 5017538) is 2-(2-phenylethenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(2-phenylethenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(2-phenylethenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one is O=C1OC(C=Cc2ccccc2)=NC1=Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2-phenylethenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is FCURQQSFSFEHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO2/c20-19(21,22)15-9-5-4-8-14(15)12-16-18(24)25-17(23-16)11-10-13-6-2-1-3-7-13/h1-12H.
What are the key properties of 2-(2-phenylethenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one?
2-(2-phenylethenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 343.30 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 5017538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).