8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one

C16H18N4O3 — CID 146070267

IUPAC8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
SMILESCn1nc2n(c1=O)CCOC2CC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H18N4O3/c1-18-16(22)20-8-9-23-13(15(20)17-18)10-14(21)19-7-6-11-4-2-3-5-12(11)19/h2-5,13H,6-10H2,1H3
InChIKeyCLWKPVHVJVWURT-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.63
Rot. Bonds2

About 8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one

8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one (PubChem CID 146070267) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one.

Molecular Properties

Compound Name8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
PubChem CID146070267
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
SMILESCn1nc2n(c1=O)CCOC2CC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H18N4O3/c1-18-16(22)20-8-9-23-13(15(20)17-18)10-14(21)19-7-6-11-4-2-3-5-12(11)19/h2-5,13H,6-10H2,1H3
InChIKeyCLWKPVHVJVWURT-UHFFFAOYSA-N
XLogP0.63
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one?
The IUPAC name of 8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one (CID 146070267) is 8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one.
What is the SMILES notation for 8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one?
The canonical SMILES for 8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one is Cn1nc2n(c1=O)CCOC2CC(=O)N1CCc2ccccc21.
What is the InChIKey of 8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one?
The InChIKey is CLWKPVHVJVWURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-18-16(22)20-8-9-23-13(15(20)17-18)10-14(21)19-7-6-11-4-2-3-5-12(11)19/h2-5,13H,6-10H2,1H3.
What are the key properties of 8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one?
8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one has a molecular weight of 314.34 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one is sourced from PubChem (CID 146070267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).