[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride

C13H16ClN3O3 — CID 56595438

IUPAC[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride
SMILESCl.OCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C13H15N3O3.ClH/c17-7-11-4-13(19-16-11)9-3-12(6-14-5-9)18-8-10-1-2-15-10;/h3-6,10,15,17H,1-2,7-8H2;1H/t10-;/m0./s1
InChIKeyOSMWLOMSZHOPDK-PPHPATTJSA-N
MW297.74 g/mol
LogP1.39
Rot. Bonds5

About [5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride

[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride (PubChem CID 56595438) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is [5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride
PubChem CID56595438
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride
SMILESCl.OCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C13H15N3O3.ClH/c17-7-11-4-13(19-16-11)9-3-12(6-14-5-9)18-8-10-1-2-15-10;/h3-6,10,15,17H,1-2,7-8H2;1H/t10-;/m0./s1
InChIKeyOSMWLOMSZHOPDK-PPHPATTJSA-N
XLogP1.39
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride?
The IUPAC name of [5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride (CID 56595438) is [5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride.
What is the SMILES notation for [5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride?
The canonical SMILES for [5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride is Cl.OCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1.
What is the InChIKey of [5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride?
The InChIKey is OSMWLOMSZHOPDK-PPHPATTJSA-N. The full InChI is InChI=1S/C13H15N3O3.ClH/c17-7-11-4-13(19-16-11)9-3-12(6-14-5-9)18-8-10-1-2-15-10;/h3-6,10,15,17H,1-2,7-8H2;1H/t10-;/m0./s1.
What are the key properties of [5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride?
[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride has a molecular weight of 297.74 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride is sourced from PubChem (CID 56595438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).