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

C16H20ClN3O4 — CID 68611403

IUPACmethyl 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propanoate;hydrochloride
SMILESCOC(=O)CCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1.Cl
InChIInChI=1S/C16H19N3O4.ClH/c1-21-16(20)3-2-12-7-15(23-19-12)11-6-14(9-17-8-11)22-10-13-4-5-18-13;/h6-9,13,18H,2-5,10H2,1H3;1H/t13-;/m0./s1
InChIKeyULPKFSCBUHQEDK-ZOWNYOTGSA-N
MW353.81 g/mol
LogP2.00
Rot. Bonds7

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

methyl 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propanoate;hydrochloride (PubChem CID 68611403) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is methyl 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propanoate;hydrochloride
PubChem CID68611403
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC Namemethyl 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propanoate;hydrochloride
SMILESCOC(=O)CCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1.Cl
InChIInChI=1S/C16H19N3O4.ClH/c1-21-16(20)3-2-12-7-15(23-19-12)11-6-14(9-17-8-11)22-10-13-4-5-18-13;/h6-9,13,18H,2-5,10H2,1H3;1H/t13-;/m0./s1
InChIKeyULPKFSCBUHQEDK-ZOWNYOTGSA-N
XLogP2.00
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propanoate;hydrochloride?
The IUPAC name of methyl 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propanoate;hydrochloride (CID 68611403) is methyl 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propanoate;hydrochloride is COC(=O)CCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1.Cl.
What is the InChIKey of methyl 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propanoate;hydrochloride?
The InChIKey is ULPKFSCBUHQEDK-ZOWNYOTGSA-N. The full InChI is InChI=1S/C16H19N3O4.ClH/c1-21-16(20)3-2-12-7-15(23-19-12)11-6-14(9-17-8-11)22-10-13-4-5-18-13;/h6-9,13,18H,2-5,10H2,1H3;1H/t13-;/m0./s1.
What are the key properties of methyl 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propanoate;hydrochloride?
methyl 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propanoate;hydrochloride has a molecular weight of 353.81 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propanoate;hydrochloride is sourced from PubChem (CID 68611403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).