3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole

C17H21N5O2 — CID 71970090

IUPAC3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole
SMILESCOCCC1(c2nc(-c3cnn4c(C)cc(C)nc34)no2)CCC1
InChIInChI=1S/C17H21N5O2/c1-11-9-12(2)22-15(19-11)13(10-18-22)14-20-16(24-21-14)17(5-4-6-17)7-8-23-3/h9-10H,4-8H2,1-3H3
InChIKeyBKAGXKHDHVMKGS-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.85
Rot. Bonds5

About 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole

3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole (PubChem CID 71970090) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole
PubChem CID71970090
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole
SMILESCOCCC1(c2nc(-c3cnn4c(C)cc(C)nc34)no2)CCC1
InChIInChI=1S/C17H21N5O2/c1-11-9-12(2)22-15(19-11)13(10-18-22)14-20-16(24-21-14)17(5-4-6-17)7-8-23-3/h9-10H,4-8H2,1-3H3
InChIKeyBKAGXKHDHVMKGS-UHFFFAOYSA-N
XLogP2.85
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole (CID 71970090) is 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole is COCCC1(c2nc(-c3cnn4c(C)cc(C)nc34)no2)CCC1.
What is the InChIKey of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole?
The InChIKey is BKAGXKHDHVMKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11-9-12(2)22-15(19-11)13(10-18-22)14-20-16(24-21-14)17(5-4-6-17)7-8-23-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole?
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole has a molecular weight of 327.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[1-(2-methoxyethyl)cyclobutyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71970090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).