5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride

C15H17ClN6O — CID 120840760

About 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride

5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120840760) has the molecular formula C15H17ClN6O and a molecular weight of 332.80 g/mol. Its IUPAC name is 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

• Compound Name: 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride
• PubChem CID: 120840760
• Molecular Formula: C15H17ClN6O
• Molecular Weight: 332.80 g/mol
• Exact Mass: 332.12
• IUPAC Name: 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride
• SMILES: Cc1cc(C)n(-c2ccc(-c3noc([C@H]4CCN4)n3)cn2)n1.Cl
• InChI: InChI=1S/C15H16N6O.ClH/c1-9-7-10(2)21(19-9)13-4-3-11(8-17-13)14-18-15(22-20-14)12-5-6-16-12;/h3-4,7-8,12,16H,5-6H2,1-2H3;1H/t12-;/m1./s1
• InChIKey: MWLDOZYWZDRCBL-UTONKHPSSA-N
• XLogP: 2.39
• TPSA: 81.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.80
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride?

The IUPAC name of 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride (CID 120840760) is 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride.

What is the SMILES notation for 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride?

The canonical SMILES for 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride is Cc1cc(C)n(-c2ccc(-c3noc([C@H]4CCN4)n3)cn2)n1.Cl.

What is the InChIKey of 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride?

The InChIKey is MWLDOZYWZDRCBL-UTONKHPSSA-N. The full InChI is InChI=1S/C15H16N6O.ClH/c1-9-7-10(2)21(19-9)13-4-3-11(8-17-13)14-18-15(22-20-14)12-5-6-16-12;/h3-4,7-8,12,16H,5-6H2,1-2H3;1H/t12-;/m1./s1.

What are the key properties of 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride?

5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 332.80 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120840760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).