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

C16H18N6O2 — CID 11099443

IUPAC(1R)-1-[4-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H](O)c1nccc(N2CCN(c3nc4cnccc4o3)CC2)n1
InChIInChI=1S/C16H18N6O2/c1-11(23)15-18-5-3-14(20-15)21-6-8-22(9-7-21)16-19-12-10-17-4-2-13(12)24-16/h2-5,10-11,23H,6-9H2,1H3/t11-/m1/s1
InChIKeyOVHBJXLSBGQTDH-LLVKDONJSA-N
MW326.36 g/mol
LogP1.39
Rot. Bonds3

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

(1R)-1-[4-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 11099443) 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[4,5-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID11099443
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name(1R)-1-[4-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H](O)c1nccc(N2CCN(c3nc4cnccc4o3)CC2)n1
InChIInChI=1S/C16H18N6O2/c1-11(23)15-18-5-3-14(20-15)21-6-8-22(9-7-21)16-19-12-10-17-4-2-13(12)24-16/h2-5,10-11,23H,6-9H2,1H3/t11-/m1/s1
InChIKeyOVHBJXLSBGQTDH-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

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

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Related Compounds

1-[4-(4-Oxazolo[5,4-b]pyridin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol
CID 10881940
1-[4-(2,6-Dimethyl-4-oxazolo[5,4-c]pyridin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol
CID 10904343
1-[4-(4-Oxazolo[5,4-c]pyridin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol
CID 10958350
1-[4-(3-Methyl-4-oxazolo[5,4-c]pyridin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol
CID 11013235
4-Oxazolo[4,5-c]pyridin-2-yl-1,4-diazabicyclo[3.2.2]nonane
CID 11276604
1-[4-(4-Oxazolo[4,5-b]pyridin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol
CID 10980319
1-[4-(4-Benzooxazol-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol
CID 11045598
2-(4-Propylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]pyridine
CID 11154035
N-(2-methoxyethyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 46986682
N-ethyl-2,5-dimethyl-N-(pyridin-4-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 46996093
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-methyl-1-prop-2-enylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 147146987
N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 166058131

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 11099443) is (1R)-1-[4-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is C[C@@H](O)c1nccc(N2CCN(c3nc4cnccc4o3)CC2)n1.
What is the InChIKey of (1R)-1-[4-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is OVHBJXLSBGQTDH-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)16-19-12-10-17-4-2-13(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[4,5-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[4-([1,3]oxazolo[4,5-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[4,5-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 11099443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).