3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-one

C25H23FN4O3 — CID 74394598

IUPAC3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-one
SMILESCOc1cc(C=C2OCCN3C2=NC(=O)C3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H23FN4O3/c1-16-14-29(15-27-16)20-9-4-17(12-21(20)32-3)13-22-23-28-24(31)25(2,30(23)10-11-33-22)18-5-7-19(26)8-6-18/h4-9,12-15H,10-11H2,1-3H3
InChIKeyOAWJWCMAMGFYJJ-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.86
Rot. Bonds4

About 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-one

3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-one (PubChem CID 74394598) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-one
PubChem CID74394598
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-one
SMILESCOc1cc(C=C2OCCN3C2=NC(=O)C3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H23FN4O3/c1-16-14-29(15-27-16)20-9-4-17(12-21(20)32-3)13-22-23-28-24(31)25(2,30(23)10-11-33-22)18-5-7-19(26)8-6-18/h4-9,12-15H,10-11H2,1-3H3
InChIKeyOAWJWCMAMGFYJJ-UHFFFAOYSA-N
XLogP3.86
TPSA68.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 11774961
(2Z)-4-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,6-dimethylmorpholin-3-one
CID 16738853
(3Z,6R,9aS)-6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one
CID 16738888
(2Z)-4-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,6-dimethylmorpholin-3-one
CID 16738956
(3E,6S,9aR)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-(3,4,5-trifluorophenyl)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-4-one
CID 24781472
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine
CID 24852452
(8'E)-6-fluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2,3-dihydrochromene-4,3'-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine]
CID 25143875
[(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 25144288
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
CID 25145553
[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 25145846

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-one (CID 74394598) is 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-one is COc1cc(C=C2OCCN3C2=NC(=O)C3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-one?
The InChIKey is OAWJWCMAMGFYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-16-14-29(15-27-16)20-9-4-17(12-21(20)32-3)13-22-23-28-24(31)25(2,30(23)10-11-33-22)18-5-7-19(26)8-6-18/h4-9,12-15H,10-11H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-one?
3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-one has a molecular weight of 446.48 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-one is sourced from PubChem (CID 74394598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).