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

C16H18FN5O3 — CID 118739441

IUPAC2-acetamido-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
SMILESCC(=O)NCC(=O)NCC1Cn2nnc(-c3cccc(F)c3)c2CO1
InChIInChI=1S/C16H18FN5O3/c1-10(23)18-7-15(24)19-6-13-8-22-14(9-25-13)16(20-21-22)11-3-2-4-12(17)5-11/h2-5,13H,6-9H2,1H3,(H,18,23)(H,19,24)
InChIKeyCZPFXRSSUIXXKA-UHFFFAOYSA-N
MW347.35 g/mol
LogP0.24
Rot. Bonds5

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

2-acetamido-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide (PubChem CID 118739441) has the molecular formula C16H18FN5O3 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-acetamido-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
PubChem CID118739441
Molecular FormulaC16H18FN5O3
Molecular Weight347.35 g/mol
Exact Mass347.14
IUPAC Name2-acetamido-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
SMILESCC(=O)NCC(=O)NCC1Cn2nnc(-c3cccc(F)c3)c2CO1
InChIInChI=1S/C16H18FN5O3/c1-10(23)18-7-15(24)19-6-13-8-22-14(9-25-13)16(20-21-22)11-3-2-4-12(17)5-11/h2-5,13H,6-9H2,1H3,(H,18,23)(H,19,24)
InChIKeyCZPFXRSSUIXXKA-UHFFFAOYSA-N
XLogP0.24
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The IUPAC name of 2-acetamido-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide (CID 118739441) is 2-acetamido-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-acetamido-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The canonical SMILES for 2-acetamido-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide is CC(=O)NCC(=O)NCC1Cn2nnc(-c3cccc(F)c3)c2CO1.
What is the InChIKey of 2-acetamido-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The InChIKey is CZPFXRSSUIXXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O3/c1-10(23)18-7-15(24)19-6-13-8-22-14(9-25-13)16(20-21-22)11-3-2-4-12(17)5-11/h2-5,13H,6-9H2,1H3,(H,18,23)(H,19,24).
What are the key properties of 2-acetamido-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
2-acetamido-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide has a molecular weight of 347.35 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[3-(3-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide is sourced from PubChem (CID 118739441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).