5,6-dihydro-2H-1,2,4-oxadiazine;5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine

C23H23F4N7O3 — CID 126601089

About 5,6-dihydro-2H-1,2,4-oxadiazine;5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine

5,6-dihydro-2H-1,2,4-oxadiazine;5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine (PubChem CID 126601089) has the molecular formula C23H23F4N7O3 and a molecular weight of 521.48 g/mol. Its IUPAC name is 5,6-dihydro-2H-1,2,4-oxadiazine;5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine.

Molecular Properties

• Compound Name: 5,6-dihydro-2H-1,2,4-oxadiazine;5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine
• PubChem CID: 126601089
• Molecular Formula: C23H23F4N7O3
• Molecular Weight: 521.48 g/mol
• Exact Mass: 521.18
• IUPAC Name: 5,6-dihydro-2H-1,2,4-oxadiazine;5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine
• SMILES: C1=NCCON1.COc1nc(C2=NC(c3ccc(F)c(C(F)(F)F)c3)CON2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C20H17F4N5O2.C3H6N2O/c1-11-8-29(10-25-11)17-6-5-15(27-19(17)30-2)18-26-16(9-31-28-18)12-3-4-14(21)13(7-12)20(22,23)24;1-2-6-5-3-4-1/h3-8,10,16H,9H2,1-2H3,(H,26,28);3H,1-2H2,(H,4,5)
• InChIKey: LSHWXBARFRRLDC-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 107.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.48
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-2H-1,2,4-oxadiazine;5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine?

The IUPAC name of 5,6-dihydro-2H-1,2,4-oxadiazine;5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine (CID 126601089) is 5,6-dihydro-2H-1,2,4-oxadiazine;5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine.

What is the SMILES notation for 5,6-dihydro-2H-1,2,4-oxadiazine;5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine?

The canonical SMILES for 5,6-dihydro-2H-1,2,4-oxadiazine;5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine is C1=NCCON1.COc1nc(C2=NC(c3ccc(F)c(C(F)(F)F)c3)CON2)ccc1-n1cnc(C)c1.

What is the InChIKey of 5,6-dihydro-2H-1,2,4-oxadiazine;5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine?

The InChIKey is LSHWXBARFRRLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N5O2.C3H6N2O/c1-11-8-29(10-25-11)17-6-5-15(27-19(17)30-2)18-26-16(9-31-28-18)12-3-4-14(21)13(7-12)20(22,23)24;1-2-6-5-3-4-1/h3-8,10,16H,9H2,1-2H3,(H,26,28);3H,1-2H2,(H,4,5).

What are the key properties of 5,6-dihydro-2H-1,2,4-oxadiazine;5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine?

5,6-dihydro-2H-1,2,4-oxadiazine;5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine has a molecular weight of 521.48 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dihydro-2H-1,2,4-oxadiazine;5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine is sourced from PubChem (CID 126601089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).