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

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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).