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

C16H18N6O2 — CID 10958350

IUPAC(1R)-1-[4-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H](O)c1nccc(N2CCN(c3nc4ccncc4o3)CC2)n1
InChIInChI=1S/C16H18N6O2/c1-11(23)15-18-5-3-14(20-15)21-6-8-22(9-7-21)16-19-12-2-4-17-10-13(12)24-16/h2-5,10-11,23H,6-9H2,1H3/t11-/m1/s1
InChIKeyUWWBAIISPZUBBA-LLVKDONJSA-N
MW326.36 g/mol
LogP1.39
Rot. Bonds3

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

(1R)-1-[4-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 10958350) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is (1R)-1-[4-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID10958350
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name(1R)-1-[4-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H](O)c1nccc(N2CCN(c3nc4ccncc4o3)CC2)n1
InChIInChI=1S/C16H18N6O2/c1-11(23)15-18-5-3-14(20-15)21-6-8-22(9-7-21)16-19-12-2-4-17-10-13(12)24-16/h2-5,10-11,23H,6-9H2,1H3/t11-/m1/s1
InChIKeyUWWBAIISPZUBBA-LLVKDONJSA-N
XLogP1.39
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 10958350) is (1R)-1-[4-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is C[C@@H](O)c1nccc(N2CCN(c3nc4ccncc4o3)CC2)n1.
What is the InChIKey of (1R)-1-[4-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is UWWBAIISPZUBBA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11(23)15-18-5-3-14(20-15)21-6-8-22(9-7-21)16-19-12-2-4-17-10-13(12)24-16/h2-5,10-11,23H,6-9H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 326.36 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 10958350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).