2-methyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3,4-oxadiazole

C13H17N5O — CID 22017593

IUPAC2-methyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CC2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C13H17N5O/c1-10-16-17-12(19-10)9-11-3-7-18(8-4-11)13-14-5-2-6-15-13/h2,5-6,11H,3-4,7-9H2,1H3
InChIKeyDJABLXGKYSUTPU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.63
Rot. Bonds3

About 2-methyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3,4-oxadiazole

2-methyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3,4-oxadiazole (PubChem CID 22017593) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3,4-oxadiazole
PubChem CID22017593
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-methyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CC2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C13H17N5O/c1-10-16-17-12(19-10)9-11-3-7-18(8-4-11)13-14-5-2-6-15-13/h2,5-6,11H,3-4,7-9H2,1H3
InChIKeyDJABLXGKYSUTPU-UHFFFAOYSA-N
XLogP1.63
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3,4-oxadiazole (CID 22017593) is 2-methyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3,4-oxadiazole is Cc1nnc(CC2CCN(c3ncccn3)CC2)o1.
What is the InChIKey of 2-methyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is DJABLXGKYSUTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-16-17-12(19-10)9-11-3-7-18(8-4-11)13-14-5-2-6-15-13/h2,5-6,11H,3-4,7-9H2,1H3.
What are the key properties of 2-methyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3,4-oxadiazole?
2-methyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 22017593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).