(6R)-6-(4-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

C21H19F3N4O3 — CID 125127403

About (6R)-6-(4-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

(6R)-6-(4-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (PubChem CID 125127403) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is (6R)-6-(4-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

Molecular Properties

• Compound Name: (6R)-6-(4-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
• PubChem CID: 125127403
• Molecular Formula: C21H19F3N4O3
• Molecular Weight: 432.40 g/mol
• Exact Mass: 432.14
• IUPAC Name: (6R)-6-(4-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
• SMILES: COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4ccccc4C(F)(F)F)c3CO2)cc1
• InChI: InChI=1S/C21H19F3N4O3/c1-30-15-8-6-13(7-9-15)18-11-28-17(12-31-18)19(26-27-28)20(29)25-10-14-4-2-3-5-16(14)21(22,23)24/h2-9,18H,10-12H2,1H3,(H,25,29)/t18-/m0/s1
• InChIKey: MWDNHSUJDZBPER-SFHVURJKSA-N
• XLogP: 3.51
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.40
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?

The IUPAC name of (6R)-6-(4-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (CID 125127403) is (6R)-6-(4-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

What is the SMILES notation for (6R)-6-(4-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?

The canonical SMILES for (6R)-6-(4-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4ccccc4C(F)(F)F)c3CO2)cc1.

What is the InChIKey of (6R)-6-(4-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?

The InChIKey is MWDNHSUJDZBPER-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-30-15-8-6-13(7-9-15)18-11-28-17(12-31-18)19(26-27-28)20(29)25-10-14-4-2-3-5-16(14)21(22,23)24/h2-9,18H,10-12H2,1H3,(H,25,29)/t18-/m0/s1.

What are the key properties of (6R)-6-(4-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?

(6R)-6-(4-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide has a molecular weight of 432.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-(4-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 125127403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).