N-[(6-methoxy-3-pyridinyl)methyl]-1-[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methanamine

C19H19F3N4O2 — CID 162798531

About N-[(6-methoxy-3-pyridinyl)methyl]-1-[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methanamine

N-[(6-methoxy-3-pyridinyl)methyl]-1-[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methanamine (PubChem CID 162798531) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-1-[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methanamine.

Molecular Properties

• Compound Name: N-[(6-methoxy-3-pyridinyl)methyl]-1-[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methanamine
• PubChem CID: 162798531
• Molecular Formula: C19H19F3N4O2
• Molecular Weight: 392.38 g/mol
• Exact Mass: 392.15
• IUPAC Name: N-[(6-methoxy-3-pyridinyl)methyl]-1-[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methanamine
• SMILES: COc1ccc(CNCC2COCc3nc4cc(C(F)(F)F)ccc4n32)cn1
• InChI: InChI=1S/C19H19F3N4O2/c1-27-18-5-2-12(8-24-18)7-23-9-14-10-28-11-17-25-15-6-13(19(20,21)22)3-4-16(15)26(14)17/h2-6,8,14,23H,7,9-11H2,1H3
• InChIKey: IYPLGABDFBOCQC-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 61.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.38
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methanamine?

The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methanamine (CID 162798531) is N-[(6-methoxy-3-pyridinyl)methyl]-1-[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methanamine.

What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-1-[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methanamine?

The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-1-[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methanamine is COc1ccc(CNCC2COCc3nc4cc(C(F)(F)F)ccc4n32)cn1.

What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-1-[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methanamine?

The InChIKey is IYPLGABDFBOCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-27-18-5-2-12(8-24-18)7-23-9-14-10-28-11-17-25-15-6-13(19(20,21)22)3-4-16(15)26(14)17/h2-6,8,14,23H,7,9-11H2,1H3.

What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-1-[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methanamine?

N-[(6-methoxy-3-pyridinyl)methyl]-1-[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methanamine has a molecular weight of 392.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methoxy-3-pyridinyl)methyl]-1-[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methanamine is sourced from PubChem (CID 162798531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).