(8Z)-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 59528017

IUPAC(8Z)-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
SMILESCOc1cc(/C=C2\OCCN3C2=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/b22-13-
InChIKeyOAWJWCMAMGFYJJ-XKZIYDEJSA-N
MW446.48 g/mol
LogP3.86
Rot. Bonds4

About (8Z)-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

(8Z)-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 59528017) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is (8Z)-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 Name(8Z)-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 CID59528017
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name(8Z)-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
SMILESCOc1cc(/C=C2\OCCN3C2=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/b22-13-
InChIKeyOAWJWCMAMGFYJJ-XKZIYDEJSA-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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Frequently Asked Questions

What is the IUPAC name of (8Z)-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 (8Z)-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 59528017) is (8Z)-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 (8Z)-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 (8Z)-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=C2\OCCN3C2=NC(=O)C3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of (8Z)-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-XKZIYDEJSA-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/b22-13-.
What are the key properties of (8Z)-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?
(8Z)-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 (8Z)-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 59528017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).