(6S)-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

C19H19N5O3 — CID 125126839

About (6S)-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

(6S)-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (PubChem CID 125126839) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is (6S)-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

Molecular Properties

• Compound Name: (6S)-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
• PubChem CID: 125126839
• Molecular Formula: C19H19N5O3
• Molecular Weight: 365.39 g/mol
• Exact Mass: 365.15
• IUPAC Name: (6S)-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
• SMILES: COc1ccc([C@H]2Cn3nnc(C(=O)NCc4ccccn4)c3CO2)cc1
• InChI: InChI=1S/C19H19N5O3/c1-26-15-7-5-13(6-8-15)17-11-24-16(12-27-17)18(22-23-24)19(25)21-10-14-4-2-3-9-20-14/h2-9,17H,10-12H2,1H3,(H,21,25)/t17-/m1/s1
• InChIKey: JARBJYVPRQWINZ-QGZVFWFLSA-N
• XLogP: 1.88
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.39
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (6S)-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (CID 125126839) is (6S)-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

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

The canonical SMILES for (6S)-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is COc1ccc([C@H]2Cn3nnc(C(=O)NCc4ccccn4)c3CO2)cc1.

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

The InChIKey is JARBJYVPRQWINZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-26-15-7-5-13(6-8-15)17-11-24-16(12-27-17)18(22-23-24)19(25)21-10-14-4-2-3-9-20-14/h2-9,17H,10-12H2,1H3,(H,21,25)/t17-/m1/s1.

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

(6S)-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 125126839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).