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

C18H14FNO3 — CID 3273450

IUPAC4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one
SMILESC=c1[nH]oc(=O)c1=Cc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C18H14FNO3/c1-12-17(18(21)23-20-12)10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(19)9-14/h2-10,20H,1,11H2
InChIKeyJASALLRSGWCULW-UHFFFAOYSA-N
MW311.31 g/mol
LogP1.93
Rot. Bonds4

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

4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one (PubChem CID 3273450) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one
PubChem CID3273450
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one
SMILESC=c1[nH]oc(=O)c1=Cc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C18H14FNO3/c1-12-17(18(21)23-20-12)10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(19)9-14/h2-10,20H,1,11H2
InChIKeyJASALLRSGWCULW-UHFFFAOYSA-N
XLogP1.93
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 22476623
(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126241559
(5E)-1-(4-ethoxyphenyl)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 2294889
(E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 6277779
(4Z)-2-(3,4-dichlorophenyl)-4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19672721
(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126259753
2-(3-bromophenyl)-4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 5068286
(4Z)-4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one
CID 2289318
N-[(5Z)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 137131087
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598234

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one?
The IUPAC name of 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one (CID 3273450) is 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one.
What is the SMILES notation for 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one?
The canonical SMILES for 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one is C=c1[nH]oc(=O)c1=Cc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one?
The InChIKey is JASALLRSGWCULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-12-17(18(21)23-20-12)10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(19)9-14/h2-10,20H,1,11H2.
What are the key properties of 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one?
4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one has a molecular weight of 311.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-methylidene-1,2-oxazolidin-5-one is sourced from PubChem (CID 3273450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).