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

C15H20ClN3O3 — CID 56595309

IUPAC3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride
SMILESCl.OCCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C15H19N3O3.ClH/c19-5-1-2-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-3-4-17-13;/h6-9,13,17,19H,1-5,10H2;1H/t13-;/m0./s1
InChIKeyUBQRACCCHXXOJB-ZOWNYOTGSA-N
MW325.80 g/mol
LogP1.82
Rot. Bonds7

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

3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride (PubChem CID 56595309) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride
PubChem CID56595309
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride
SMILESCl.OCCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1
InChIInChI=1S/C15H19N3O3.ClH/c19-5-1-2-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-3-4-17-13;/h6-9,13,17,19H,1-5,10H2;1H/t13-;/m0./s1
InChIKeyUBQRACCCHXXOJB-ZOWNYOTGSA-N
XLogP1.82
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride with MolForge

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Related Compounds

(s)-2-(5-(5-(Azetidin-2-ylmethoxy)pyridin-3-yl)isoxazol-3-yl)ethan-1-ol
CID 46191426
[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride
CID 56595438
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride
CID 56595564
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole
CID 71450042
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate
CID 71453717
5-[5-[[(2S)-azetidin-2-yl]methoxy]pyridin-3-yl]-3-(3,3-difluoropropyl)-1,2-oxazole
CID 71455410
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole
CID 71455447
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate
CID 71457187
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole
CID 71460892
n-(2-Hydroxy-1-methyl-ethyl)-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinamide
CID 42629454
N-((S)-1-Hydroxymethyl-propyl)-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinamide
CID 42629686
N-[(2S)-1-hydroxypropan-2-yl]-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
CID 57521073

Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride?
The IUPAC name of 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride (CID 56595309) is 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride.
What is the SMILES notation for 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride?
The canonical SMILES for 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride is Cl.OCCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1.
What is the InChIKey of 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride?
The InChIKey is UBQRACCCHXXOJB-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H19N3O3.ClH/c19-5-1-2-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-3-4-17-13;/h6-9,13,17,19H,1-5,10H2;1H/t13-;/m0./s1.
What are the key properties of 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride?
3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride is sourced from PubChem (CID 56595309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).