5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole

C16H21N5O — CID 133474987

IUPAC5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCc1cc(C)nc(N2CCC(c3noc(C4CC4)n3)CC2)n1
InChIInChI=1S/C16H21N5O/c1-10-9-11(2)18-16(17-10)21-7-5-12(6-8-21)14-19-15(22-20-14)13-3-4-13/h9,12-13H,3-8H2,1-2H3
InChIKeyLLVPRWPSLRNNSC-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.74
Rot. Bonds3

About 5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole

5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 133474987) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID133474987
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCc1cc(C)nc(N2CCC(c3noc(C4CC4)n3)CC2)n1
InChIInChI=1S/C16H21N5O/c1-10-9-11(2)18-16(17-10)21-7-5-12(6-8-21)14-19-15(22-20-14)13-3-4-13/h9,12-13H,3-8H2,1-2H3
InChIKeyLLVPRWPSLRNNSC-UHFFFAOYSA-N
XLogP2.74
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole (CID 133474987) is 5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole is Cc1cc(C)nc(N2CCC(c3noc(C4CC4)n3)CC2)n1.
What is the InChIKey of 5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is LLVPRWPSLRNNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-10-9-11(2)18-16(17-10)21-7-5-12(6-8-21)14-19-15(22-20-14)13-3-4-13/h9,12-13H,3-8H2,1-2H3.
What are the key properties of 5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 299.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 133474987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).