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

C20H19FN4O3 — CID 91893751

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

6-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (PubChem CID 91893751) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
• PubChem CID: 91893751
• Molecular Formula: C20H19FN4O3
• Molecular Weight: 382.40 g/mol
• Exact Mass: 382.14
• IUPAC Name: 6-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
• SMILES: COc1ccccc1CNC(=O)c1nnn2c1COC(c1ccc(F)cc1)C2
• InChI: InChI=1S/C20H19FN4O3/c1-27-17-5-3-2-4-14(17)10-22-20(26)19-16-12-28-18(11-25(16)24-23-19)13-6-8-15(21)9-7-13/h2-9,18H,10-12H2,1H3,(H,22,26)
• InChIKey: VHTNWHUIQQGOKU-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 78.27 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	382.40
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (CID 91893751) is 6-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

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

The canonical SMILES for 6-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is COc1ccccc1CNC(=O)c1nnn2c1COC(c1ccc(F)cc1)C2.

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

The InChIKey is VHTNWHUIQQGOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-27-17-5-3-2-4-14(17)10-22-20(26)19-16-12-28-18(11-25(16)24-23-19)13-6-8-15(21)9-7-13/h2-9,18H,10-12H2,1H3,(H,22,26).

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

6-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 91893751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).