6-[5-(2-aminoethyl)-2-hydroxy-2H-1,3,4-oxadiazol-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one

C16H26N6O5Si — CID 174067376

IUPAC6-[5-(2-aminoethyl)-2-hydroxy-2H-1,3,4-oxadiazol-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one
SMILESC[Si](C)(C)CCOCN1C(=O)COc2ncc(N3N=C(CCN)OC3O)nc21
InChIInChI=1S/C16H26N6O5Si/c1-28(2,3)7-6-25-10-21-13(23)9-26-15-14(21)19-11(8-18-15)22-16(24)27-12(20-22)4-5-17/h8,16,24H,4-7,9-10,17H2,1-3H3
InChIKeyQTECKRDUCAYNOF-UHFFFAOYSA-N
MW410.51 g/mol
LogP0.29
Rot. Bonds8

About 6-[5-(2-aminoethyl)-2-hydroxy-2H-1,3,4-oxadiazol-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one

6-[5-(2-aminoethyl)-2-hydroxy-2H-1,3,4-oxadiazol-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one (PubChem CID 174067376) has the molecular formula C16H26N6O5Si and a molecular weight of 410.51 g/mol. Its IUPAC name is 6-[5-(2-aminoethyl)-2-hydroxy-2H-1,3,4-oxadiazol-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[5-(2-aminoethyl)-2-hydroxy-2H-1,3,4-oxadiazol-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one
PubChem CID174067376
Molecular FormulaC16H26N6O5Si
Molecular Weight410.51 g/mol
Exact Mass410.17
IUPAC Name6-[5-(2-aminoethyl)-2-hydroxy-2H-1,3,4-oxadiazol-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one
SMILESC[Si](C)(C)CCOCN1C(=O)COc2ncc(N3N=C(CCN)OC3O)nc21
InChIInChI=1S/C16H26N6O5Si/c1-28(2,3)7-6-25-10-21-13(23)9-26-15-14(21)19-11(8-18-15)22-16(24)27-12(20-22)4-5-17/h8,16,24H,4-7,9-10,17H2,1-3H3
InChIKeyQTECKRDUCAYNOF-UHFFFAOYSA-N
XLogP0.29
TPSA135.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-aminoethyl)-2-hydroxy-2H-1,3,4-oxadiazol-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one?
The IUPAC name of 6-[5-(2-aminoethyl)-2-hydroxy-2H-1,3,4-oxadiazol-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one (CID 174067376) is 6-[5-(2-aminoethyl)-2-hydroxy-2H-1,3,4-oxadiazol-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[5-(2-aminoethyl)-2-hydroxy-2H-1,3,4-oxadiazol-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[5-(2-aminoethyl)-2-hydroxy-2H-1,3,4-oxadiazol-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one is C[Si](C)(C)CCOCN1C(=O)COc2ncc(N3N=C(CCN)OC3O)nc21.
What is the InChIKey of 6-[5-(2-aminoethyl)-2-hydroxy-2H-1,3,4-oxadiazol-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one?
The InChIKey is QTECKRDUCAYNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O5Si/c1-28(2,3)7-6-25-10-21-13(23)9-26-15-14(21)19-11(8-18-15)22-16(24)27-12(20-22)4-5-17/h8,16,24H,4-7,9-10,17H2,1-3H3.
What are the key properties of 6-[5-(2-aminoethyl)-2-hydroxy-2H-1,3,4-oxadiazol-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one?
6-[5-(2-aminoethyl)-2-hydroxy-2H-1,3,4-oxadiazol-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one has a molecular weight of 410.51 g/mol, XLogP of 0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-aminoethyl)-2-hydroxy-2H-1,3,4-oxadiazol-3-yl]-4-(2-trimethylsilylethoxymethyl)pyrazino[2,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 174067376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).