5-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-4-oxa-15-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene

C22H20FN3O — CID 69192669

IUPAC5-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-4-oxa-15-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene
SMILESFc1ccc(-c2oc3cc4c(cc3c2-c2ncc[nH]2)CCCCCN4)cc1
InChIInChI=1S/C22H20FN3O/c23-16-7-5-14(6-8-16)21-20(22-25-10-11-26-22)17-12-15-4-2-1-3-9-24-18(15)13-19(17)27-21/h5-8,10-13,24H,1-4,9H2,(H,25,26)
InChIKeyUPEJQFIKBBAZQT-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.77
Rot. Bonds2

About 5-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-4-oxa-15-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene

5-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-4-oxa-15-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene (PubChem CID 69192669) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-4-oxa-15-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-4-oxa-15-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene
PubChem CID69192669
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name5-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-4-oxa-15-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene
SMILESFc1ccc(-c2oc3cc4c(cc3c2-c2ncc[nH]2)CCCCCN4)cc1
InChIInChI=1S/C22H20FN3O/c23-16-7-5-14(6-8-16)21-20(22-25-10-11-26-22)17-12-15-4-2-1-3-9-24-18(15)13-19(17)27-21/h5-8,10-13,24H,1-4,9H2,(H,25,26)
InChIKeyUPEJQFIKBBAZQT-UHFFFAOYSA-N
XLogP5.77
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-4-oxa-15-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene?
The IUPAC name of 5-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-4-oxa-15-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene (CID 69192669) is 5-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-4-oxa-15-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene.
What is the SMILES notation for 5-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-4-oxa-15-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene?
The canonical SMILES for 5-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-4-oxa-15-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene is Fc1ccc(-c2oc3cc4c(cc3c2-c2ncc[nH]2)CCCCCN4)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-4-oxa-15-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene?
The InChIKey is UPEJQFIKBBAZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-16-7-5-14(6-8-16)21-20(22-25-10-11-26-22)17-12-15-4-2-1-3-9-24-18(15)13-19(17)27-21/h5-8,10-13,24H,1-4,9H2,(H,25,26).
What are the key properties of 5-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-4-oxa-15-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene?
5-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-4-oxa-15-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene has a molecular weight of 361.42 g/mol, XLogP of 5.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-4-oxa-15-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene is sourced from PubChem (CID 69192669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).