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

C14H19N5O — CID 75501362

IUPAC3-methyl-5-[4-methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2(C)CCN(Cc3cncnc3)CC2)n1
InChIInChI=1S/C14H19N5O/c1-11-17-13(20-18-11)14(2)3-5-19(6-4-14)9-12-7-15-10-16-8-12/h7-8,10H,3-6,9H2,1-2H3
InChIKeyHCMAFFRGRFTOAS-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.72
Rot. Bonds3

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

3-methyl-5-[4-methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 75501362) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-methyl-5-[4-methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[4-methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID75501362
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-methyl-5-[4-methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2(C)CCN(Cc3cncnc3)CC2)n1
InChIInChI=1S/C14H19N5O/c1-11-17-13(20-18-11)14(2)3-5-19(6-4-14)9-12-7-15-10-16-8-12/h7-8,10H,3-6,9H2,1-2H3
InChIKeyHCMAFFRGRFTOAS-UHFFFAOYSA-N
XLogP1.72
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[4-methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole (CID 75501362) is 3-methyl-5-[4-methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[4-methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[4-methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole is Cc1noc(C2(C)CCN(Cc3cncnc3)CC2)n1.
What is the InChIKey of 3-methyl-5-[4-methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is HCMAFFRGRFTOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-17-13(20-18-11)14(2)3-5-19(6-4-14)9-12-7-15-10-16-8-12/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 3-methyl-5-[4-methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole?
3-methyl-5-[4-methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 75501362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).