(4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one

C18H11ClFNO2 — CID 6268001

IUPAC(4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(F)cc2)=N/C1=C/C(Cl)=C/c1ccccc1
InChIInChI=1S/C18H11ClFNO2/c19-14(10-12-4-2-1-3-5-12)11-16-18(22)23-17(21-16)13-6-8-15(20)9-7-13/h1-11H/b14-10-,16-11+
InChIKeyUCBLOXZOFUTZDP-DGIOSINNSA-N
MW327.74 g/mol
LogP4.29
Rot. Bonds3

About (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one

(4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one (PubChem CID 6268001) has the molecular formula C18H11ClFNO2 and a molecular weight of 327.74 g/mol. Its IUPAC name is (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
PubChem CID6268001
Molecular FormulaC18H11ClFNO2
Molecular Weight327.74 g/mol
Exact Mass327.05
IUPAC Name(4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(F)cc2)=N/C1=C/C(Cl)=C/c1ccccc1
InChIInChI=1S/C18H11ClFNO2/c19-14(10-12-4-2-1-3-5-12)11-16-18(22)23-17(21-16)13-6-8-15(20)9-7-13/h1-11H/b14-10-,16-11+
InChIKeyUCBLOXZOFUTZDP-DGIOSINNSA-N
XLogP4.29
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.74
LogP ≤ 54.29
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

(4Z)-2-(4-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6393867
(4E)-4-[(2Z)-2-benzylidenebutylidene]-2-phenyl-1,3-oxazol-5-one
CID 876956
(4Z)-2-(4-methoxyphenyl)-4-(2-methyl-3-phenylprop-2-enylidene)-1,3-oxazol-5-one
CID 6952332
(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 6377088
(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668266
(4Z)-2-(2-bromo-4-methoxyphenyl)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6030089
(4Z)-4-[(2E)-2-benzylidenebutylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 2203759
2-(4-fluorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 3109273
(4E)-2-(3-chlorophenyl)-4-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 689267
(4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369649
(4Z)-4-[(4-fluorophenyl)methylidene]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one
CID 164940410
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one (CID 6268001) is (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one is O=C1OC(c2ccc(F)cc2)=N/C1=C/C(Cl)=C/c1ccccc1.
What is the InChIKey of (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
The InChIKey is UCBLOXZOFUTZDP-DGIOSINNSA-N. The full InChI is InChI=1S/C18H11ClFNO2/c19-14(10-12-4-2-1-3-5-12)11-16-18(22)23-17(21-16)13-6-8-15(20)9-7-13/h1-11H/b14-10-,16-11+.
What are the key properties of (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
(4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one has a molecular weight of 327.74 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 6268001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).