(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine

C24H24FN5O2 — CID 143987456

IUPAC(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine
SMILESCOc1cc(/C=C2\OCCN3C2=NC=CN3c2ccc(F)cc2)ccc1N1C=NC(C)C1
InChIInChI=1S/C24H24FN5O2/c1-17-15-28(16-27-17)21-8-3-18(13-22(21)31-2)14-23-24-26-9-10-29(30(24)11-12-32-23)20-6-4-19(25)5-7-20/h3-10,13-14,16-17H,11-12,15H2,1-2H3/b23-14-
InChIKeySXJPDWUUFBDDGF-UCQKPKSFSA-N
MW433.49 g/mol
LogP4.05
Rot. Bonds4

About (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine

(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine (PubChem CID 143987456) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine
PubChem CID143987456
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine
SMILESCOc1cc(/C=C2\OCCN3C2=NC=CN3c2ccc(F)cc2)ccc1N1C=NC(C)C1
InChIInChI=1S/C24H24FN5O2/c1-17-15-28(16-27-17)21-8-3-18(13-22(21)31-2)14-23-24-26-9-10-29(30(24)11-12-32-23)20-6-4-19(25)5-7-20/h3-10,13-14,16-17H,11-12,15H2,1-2H3/b23-14-
InChIKeySXJPDWUUFBDDGF-UCQKPKSFSA-N
XLogP4.05
TPSA52.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-7,8-dihydro-6H-pyrido[1,2-b][1,2,4]triazine
CID 157308567
4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-6,7-dihydro-2H-[1,4]oxazino[4,3-b][1,2,4]triazin-3-one
CID 75171422
3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide
CID 123320888
(3S,10E)-3-(3-chloro-5-fluorophenyl)-10-[[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]methylidene]-3,4,5,7,8,9-hexahydropyrido[2,1-c][1,2,4]oxadiazepine
CID 70235022
(10Z)-5-[(4-fluorophenyl)methyl]-10-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazepin-4-one
CID 143987623
[(8Z)-3-(2,4-difluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazin-3-yl]methanol
CID 58476385
1-[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazin-3-yl]ethanol
CID 25143067
8-[1-(4-fluorophenyl)ethyl]-4-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]cinnoline
CID 70265530
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 67678911
[(8E)-8-[[3-methoxy-4-(5-methyl-4H-pyrimidin-1-yl)phenyl]methylidene]-3-(3,4,5-trifluorophenyl)-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazin-3-yl]methanol
CID 143987921
(8E)-3-(3,4-difluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-5,6-dihydro-[1,2,4]oxadiazolo[3,4-c][1,4]oxazine
CID 58476528
(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine
CID 67678724

Frequently Asked Questions

What is the IUPAC name of (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine?
The IUPAC name of (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine (CID 143987456) is (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine.
What is the SMILES notation for (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine?
The canonical SMILES for (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine is COc1cc(/C=C2\OCCN3C2=NC=CN3c2ccc(F)cc2)ccc1N1C=NC(C)C1.
What is the InChIKey of (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine?
The InChIKey is SXJPDWUUFBDDGF-UCQKPKSFSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-17-15-28(16-27-17)21-8-3-18(13-22(21)31-2)14-23-24-26-9-10-29(30(24)11-12-32-23)20-6-4-19(25)5-7-20/h3-10,13-14,16-17H,11-12,15H2,1-2H3/b23-14-.
What are the key properties of (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine?
(9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine has a molecular weight of 433.49 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-[1,4]oxazino[4,3-b][1,2,4]triazine is sourced from PubChem (CID 143987456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).