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

C19H18N4O2 — CID 125128243

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

(6R)-N-(4-methylphenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (PubChem CID 125128243) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (6R)-N-(4-methylphenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-(4-methylphenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
• PubChem CID: 125128243
• Molecular Formula: C19H18N4O2
• Molecular Weight: 334.38 g/mol
• Exact Mass: 334.14
• IUPAC Name: (6R)-N-(4-methylphenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
• SMILES: Cc1ccc(NC(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)cc1
• InChI: InChI=1S/C19H18N4O2/c1-13-7-9-15(10-8-13)20-19(24)18-16-12-25-17(11-23(16)22-21-18)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H,20,24)/t17-/m0/s1
• InChIKey: SXGMIJINYSDAMZ-KRWDZBQOSA-N
• XLogP: 3.11
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.38
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6R)-N-(4-methylphenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (CID 125128243) is (6R)-N-(4-methylphenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

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

The canonical SMILES for (6R)-N-(4-methylphenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is Cc1ccc(NC(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)cc1.

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

The InChIKey is SXGMIJINYSDAMZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-7-9-15(10-8-13)20-19(24)18-16-12-25-17(11-23(16)22-21-18)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H,20,24)/t17-/m0/s1.

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

(6R)-N-(4-methylphenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-(4-methylphenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 125128243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).