8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one

C25H23FN4O3 — CID 25141491

IUPAC8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one
SMILESCOc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)COCCN23)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H23FN4O3/c1-17-14-29(16-27-17)21-9-3-18(13-22(21)32-2)4-10-23-28-24(31)25(15-33-12-11-30(23)25)19-5-7-20(26)8-6-19/h3-10,13-14,16H,11-12,15H2,1-2H3/b10-4+
InChIKeyMVUKDOYHAHATEZ-ONNFQVAWSA-N
MW446.48 g/mol
LogP3.51
Rot. Bonds5

About 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one

8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one (PubChem CID 25141491) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one.

Molecular Properties

Compound Name8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one
PubChem CID25141491
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one
SMILESCOc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)COCCN23)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H23FN4O3/c1-17-14-29(16-27-17)21-9-3-18(13-22(21)32-2)4-10-23-28-24(31)25(15-33-12-11-30(23)25)19-5-7-20(26)8-6-19/h3-10,13-14,16H,11-12,15H2,1-2H3/b10-4+
InChIKeyMVUKDOYHAHATEZ-ONNFQVAWSA-N
XLogP3.51
TPSA68.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one?
The IUPAC name of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one (CID 25141491) is 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one.
What is the SMILES notation for 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one?
The canonical SMILES for 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one is COc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)COCCN23)ccc1-n1cnc(C)c1.
What is the InChIKey of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one?
The InChIKey is MVUKDOYHAHATEZ-ONNFQVAWSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-17-14-29(16-27-17)21-9-3-18(13-22(21)32-2)4-10-23-28-24(31)25(15-33-12-11-30(23)25)19-5-7-20(26)8-6-19/h3-10,13-14,16H,11-12,15H2,1-2H3/b10-4+.
What are the key properties of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one?
8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one has a molecular weight of 446.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-one is sourced from PubChem (CID 25141491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).