2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole

C15H18N6O — CID 155942033

IUPAC2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole
SMILESCc1cc(N2CCCC(c3nnc(C)o3)C2)n2nccc2n1
InChIInChI=1S/C15H18N6O/c1-10-8-14(21-13(17-10)5-6-16-21)20-7-3-4-12(9-20)15-19-18-11(2)22-15/h5-6,8,12H,3-4,7,9H2,1-2H3
InChIKeyXNFJUWQNCOPIGU-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.11
Rot. Bonds2

About 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole

2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole (PubChem CID 155942033) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole
PubChem CID155942033
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole
SMILESCc1cc(N2CCCC(c3nnc(C)o3)C2)n2nccc2n1
InChIInChI=1S/C15H18N6O/c1-10-8-14(21-13(17-10)5-6-16-21)20-7-3-4-12(9-20)15-19-18-11(2)22-15/h5-6,8,12H,3-4,7,9H2,1-2H3
InChIKeyXNFJUWQNCOPIGU-UHFFFAOYSA-N
XLogP2.11
TPSA72.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole (CID 155942033) is 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole is Cc1cc(N2CCCC(c3nnc(C)o3)C2)n2nccc2n1.
What is the InChIKey of 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is XNFJUWQNCOPIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-10-8-14(21-13(17-10)5-6-16-21)20-7-3-4-12(9-20)15-19-18-11(2)22-15/h5-6,8,12H,3-4,7,9H2,1-2H3.
What are the key properties of 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole?
2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 298.35 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 155942033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).