(4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one

C26H23FN2O3 — CID 2316551

IUPAC(4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(F)cc2)=N/C1=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1
InChIInChI=1S/C26H23FN2O3/c27-22-10-8-19(9-11-22)25-28-23(26(30)32-25)17-21-7-6-20(16-18-4-2-1-3-5-18)24(21)29-12-14-31-15-13-29/h1-5,8-11,16-17H,6-7,12-15H2/b20-16+,23-17+
InChIKeyAHSKPFBUHAPEJP-HLWNQAFMSA-N
MW430.48 g/mol
LogP4.48
Rot. Bonds4

About (4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one

(4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one (PubChem CID 2316551) has the molecular formula C26H23FN2O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is (4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
PubChem CID2316551
Molecular FormulaC26H23FN2O3
Molecular Weight430.48 g/mol
Exact Mass430.17
IUPAC Name(4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc(F)cc2)=N/C1=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1
InChIInChI=1S/C26H23FN2O3/c27-22-10-8-19(9-11-22)25-28-23(26(30)32-25)17-21-7-6-20(16-18-4-2-1-3-5-18)24(21)29-12-14-31-15-13-29/h1-5,8-11,16-17H,6-7,12-15H2/b20-16+,23-17+
InChIKeyAHSKPFBUHAPEJP-HLWNQAFMSA-N
XLogP4.48
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-(4-hydroxyphenyl)-4-[[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]methylidene]-1,3-oxazol-5-one
CID 136846535
(4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
CID 11118732
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(4E)-2-(4-fluorophenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
CID 97353987
(4Z)-4-[(4-fluorophenyl)methylidene]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one
CID 164940410
(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde
CID 2322917
(4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5292750
(4Z)-2-(4-fluorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 806078
3-[(2Z)-2-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135820831
N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide
CID 6158019
(4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 9313372
(4Z)-2-(4-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6393867

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one (CID 2316551) is (4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one is O=C1OC(c2ccc(F)cc2)=N/C1=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1.
What is the InChIKey of (4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
The InChIKey is AHSKPFBUHAPEJP-HLWNQAFMSA-N. The full InChI is InChI=1S/C26H23FN2O3/c27-22-10-8-19(9-11-22)25-28-23(26(30)32-25)17-21-7-6-20(16-18-4-2-1-3-5-18)24(21)29-12-14-31-15-13-29/h1-5,8-11,16-17H,6-7,12-15H2/b20-16+,23-17+.
What are the key properties of (4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one?
(4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one has a molecular weight of 430.48 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 2316551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).