1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

C17H20N6O2 — CID 22328723

IUPAC1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCC(O)c1nccc(N2CCN(c3nc4ncccc4o3)CC2C)n1
InChIInChI=1S/C17H20N6O2/c1-11-10-22(17-21-16-13(25-17)4-3-6-18-16)8-9-23(11)14-5-7-19-15(20-14)12(2)24/h3-7,11-12,24H,8-10H2,1-2H3
InChIKeyBQDROCWGIPQGJE-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.78
Rot. Bonds3

About 1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 22328723) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID22328723
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCC(O)c1nccc(N2CCN(c3nc4ncccc4o3)CC2C)n1
InChIInChI=1S/C17H20N6O2/c1-11-10-22(17-21-16-13(25-17)4-3-6-18-16)8-9-23(11)14-5-7-19-15(20-14)12(2)24/h3-7,11-12,24H,8-10H2,1-2H3
InChIKeyBQDROCWGIPQGJE-UHFFFAOYSA-N
XLogP1.78
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of 1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 22328723) is 1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for 1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for 1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is CC(O)c1nccc(N2CCN(c3nc4ncccc4o3)CC2C)n1.
What is the InChIKey of 1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is BQDROCWGIPQGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-10-22(17-21-16-13(25-17)4-3-6-18-16)8-9-23(11)14-5-7-19-15(20-14)12(2)24/h3-7,11-12,24H,8-10H2,1-2H3.
What are the key properties of 1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 340.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 22328723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).