2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride

C16H18ClN5O2 — CID 66797369

IUPAC2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride
SMILESCl.c1cncc(OC[C@H]2CNCCN2c2nc3ncccc3o2)c1
InChIInChI=1S/C16H17N5O2.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H/t12-;/m1./s1
InChIKeyZWCUBSOPHPGVRD-UTONKHPSSA-N
MW347.81 g/mol
LogP1.90
Rot. Bonds4

About 2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride

2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride (PubChem CID 66797369) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride.

Molecular Properties

Compound Name2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride
PubChem CID66797369
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride
SMILESCl.c1cncc(OC[C@H]2CNCCN2c2nc3ncccc3o2)c1
InChIInChI=1S/C16H17N5O2.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H/t12-;/m1./s1
InChIKeyZWCUBSOPHPGVRD-UTONKHPSSA-N
XLogP1.90
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride?
The IUPAC name of 2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride (CID 66797369) is 2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride.
What is the SMILES notation for 2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride?
The canonical SMILES for 2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride is Cl.c1cncc(OC[C@H]2CNCCN2c2nc3ncccc3o2)c1.
What is the InChIKey of 2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride?
The InChIKey is ZWCUBSOPHPGVRD-UTONKHPSSA-N. The full InChI is InChI=1S/C16H17N5O2.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H/t12-;/m1./s1.
What are the key properties of 2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride?
2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride has a molecular weight of 347.81 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]oxazolo[4,5-b]pyridine;hydrochloride is sourced from PubChem (CID 66797369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).