(6R)-6-(2-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine

C21H14F4N4O2 — CID 125128332

About (6R)-6-(2-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine

(6R)-6-(2-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (PubChem CID 125128332) has the molecular formula C21H14F4N4O2 and a molecular weight of 430.36 g/mol. Its IUPAC name is (6R)-6-(2-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.

Molecular Properties

• Compound Name: (6R)-6-(2-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
• PubChem CID: 125128332
• Molecular Formula: C21H14F4N4O2
• Molecular Weight: 430.36 g/mol
• Exact Mass: 430.11
• IUPAC Name: (6R)-6-(2-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
• SMILES: Fc1ccccc1[C@@H]1Cn2cnc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)c2CO1
• InChI: InChI=1S/C21H14F4N4O2/c22-15-7-2-1-6-14(15)17-9-29-11-26-18(16(29)10-30-17)20-27-19(28-31-20)12-4-3-5-13(8-12)21(23,24)25/h1-8,11,17H,9-10H2/t17-/m0/s1
• InChIKey: UEOKLHWIURXNTA-KRWDZBQOSA-N
• XLogP: 5.03
• TPSA: 65.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.36
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?

The IUPAC name of (6R)-6-(2-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (CID 125128332) is (6R)-6-(2-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.

What is the SMILES notation for (6R)-6-(2-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?

The canonical SMILES for (6R)-6-(2-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is Fc1ccccc1[C@@H]1Cn2cnc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)c2CO1.

What is the InChIKey of (6R)-6-(2-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?

The InChIKey is UEOKLHWIURXNTA-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H14F4N4O2/c22-15-7-2-1-6-14(15)17-9-29-11-26-18(16(29)10-30-17)20-27-19(28-31-20)12-4-3-5-13(8-12)21(23,24)25/h1-8,11,17H,9-10H2/t17-/m0/s1.

What are the key properties of (6R)-6-(2-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?

(6R)-6-(2-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine has a molecular weight of 430.36 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-(2-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is sourced from PubChem (CID 125128332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).