2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide

C16H19FN4O3 — CID 118739442

IUPAC2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
SMILESCCOCC(=O)NCC1Cn2nnc(-c3cccc(F)c3)c2CO1
InChIInChI=1S/C16H19FN4O3/c1-2-23-10-15(22)18-7-13-8-21-14(9-24-13)16(19-20-21)11-4-3-5-12(17)6-11/h3-6,13H,2,7-10H2,1H3,(H,18,22)
InChIKeyVWTOPCUWPMYVGO-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.14
Rot. Bonds6

About 2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide

2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide (PubChem CID 118739442) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
PubChem CID118739442
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
SMILESCCOCC(=O)NCC1Cn2nnc(-c3cccc(F)c3)c2CO1
InChIInChI=1S/C16H19FN4O3/c1-2-23-10-15(22)18-7-13-8-21-14(9-24-13)16(19-20-21)11-4-3-5-12(17)6-11/h3-6,13H,2,7-10H2,1H3,(H,18,22)
InChIKeyVWTOPCUWPMYVGO-UHFFFAOYSA-N
XLogP1.14
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide (CID 118739442) is 2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide is CCOCC(=O)NCC1Cn2nnc(-c3cccc(F)c3)c2CO1.
What is the InChIKey of 2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The InChIKey is VWTOPCUWPMYVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-2-23-10-15(22)18-7-13-8-21-14(9-24-13)16(19-20-21)11-4-3-5-12(17)6-11/h3-6,13H,2,7-10H2,1H3,(H,18,22).
What are the key properties of 2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide has a molecular weight of 334.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide is sourced from PubChem (CID 118739442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).