(6S)-6-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

C20H19FN4O2 — CID 125126247

About (6S)-6-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

(6S)-6-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (PubChem CID 125126247) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is (6S)-6-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

Molecular Properties

• Compound Name: (6S)-6-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
• PubChem CID: 125126247
• Molecular Formula: C20H19FN4O2
• Molecular Weight: 366.40 g/mol
• Exact Mass: 366.15
• IUPAC Name: (6S)-6-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
• SMILES: Cc1ccccc1CNC(=O)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2
• InChI: InChI=1S/C20H19FN4O2/c1-13-4-2-3-5-15(13)10-22-20(26)19-17-12-27-18(11-25(17)24-23-19)14-6-8-16(21)9-7-14/h2-9,18H,10-12H2,1H3,(H,22,26)/t18-/m1/s1
• InChIKey: DSCAWYXYEJTDJH-GOSISDBHSA-N
• XLogP: 2.93
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.40
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6S)-6-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (CID 125126247) is (6S)-6-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

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

The canonical SMILES for (6S)-6-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is Cc1ccccc1CNC(=O)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2.

What is the InChIKey of (6S)-6-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?

The InChIKey is DSCAWYXYEJTDJH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-13-4-2-3-5-15(13)10-22-20(26)19-17-12-27-18(11-25(17)24-23-19)14-6-8-16(21)9-7-14/h2-9,18H,10-12H2,1H3,(H,22,26)/t18-/m1/s1.

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

(6S)-6-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 125126247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).