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

C14H18ClN3O3 — CID 56595564

IUPAC2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride
SMILESCl.OCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C14H17N3O3.ClH/c18-4-2-11-6-14(20-17-11)10-5-13(8-15-7-10)19-9-12-1-3-16-12;/h5-8,12,16,18H,1-4,9H2;1H/t12-;/m0./s1
InChIKeyBWUWLUILHASZOX-YDALLXLXSA-N
MW311.77 g/mol
LogP1.43
Rot. Bonds6

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

2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride (PubChem CID 56595564) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride
PubChem CID56595564
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride
SMILESCl.OCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C14H17N3O3.ClH/c18-4-2-11-6-14(20-17-11)10-5-13(8-15-7-10)19-9-12-1-3-16-12;/h5-8,12,16,18H,1-4,9H2;1H/t12-;/m0./s1
InChIKeyBWUWLUILHASZOX-YDALLXLXSA-N
XLogP1.43
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride?
The IUPAC name of 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride (CID 56595564) is 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride is Cl.OCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1.
What is the InChIKey of 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride?
The InChIKey is BWUWLUILHASZOX-YDALLXLXSA-N. The full InChI is InChI=1S/C14H17N3O3.ClH/c18-4-2-11-6-14(20-17-11)10-5-13(8-15-7-10)19-9-12-1-3-16-12;/h5-8,12,16,18H,1-4,9H2;1H/t12-;/m0./s1.
What are the key properties of 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride?
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride has a molecular weight of 311.77 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride is sourced from PubChem (CID 56595564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).