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

C15H16N6O — CID 120840761

IUPAC5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1cc(C)n(-c2ccc(-c3noc([C@H]4CCN4)n3)cn2)n1
InChIInChI=1S/C15H16N6O/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/t12-/m1/s1
InChIKeyGMEXUARRTXLJLT-GFCCVEGCSA-N
MW296.33 g/mol
LogP1.97
Rot. Bonds3

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

5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 120840761) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID120840761
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1cc(C)n(-c2ccc(-c3noc([C@H]4CCN4)n3)cn2)n1
InChIInChI=1S/C15H16N6O/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/t12-/m1/s1
InChIKeyGMEXUARRTXLJLT-GFCCVEGCSA-N
XLogP1.97
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride
CID 120840760
5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 120840795
1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 166201237
5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 120841006
5-[(1R)-1-cyclohexylsulfonyl-2-methylpropyl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 99791757
5-[(1S)-1-cyclohexylsulfonyl-2-methylpropyl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 99791758
(2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide
CID 120840798
N-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide
CID 139515216
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 120841721
3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93350964

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?
The IUPAC name of 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (CID 120840761) is 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is Cc1cc(C)n(-c2ccc(-c3noc([C@H]4CCN4)n3)cn2)n1.
What is the InChIKey of 5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is GMEXUARRTXLJLT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N6O/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/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?
5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 296.33 g/mol, XLogP of 1.97, 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 is sourced from PubChem (CID 120840761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).