5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazole

C14H19N5O2 — CID 128792384

IUPAC5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc([C@H]3CCN(C)[C@@H](C)C3)n2)ncn1
InChIInChI=1S/C14H19N5O2/c1-9-6-10(4-5-19(9)2)14-17-13(18-21-14)11-7-12(20-3)16-8-15-11/h7-10H,4-6H2,1-3H3/t9-,10-/m0/s1
InChIKeyANXFRGQQLZYBNF-UWVGGRQHSA-N
MW289.34 g/mol
LogP1.73
Rot. Bonds3

About 5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazole

5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazole (PubChem CID 128792384) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazole
PubChem CID128792384
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc([C@H]3CCN(C)[C@@H](C)C3)n2)ncn1
InChIInChI=1S/C14H19N5O2/c1-9-6-10(4-5-19(9)2)14-17-13(18-21-14)11-7-12(20-3)16-8-15-11/h7-10H,4-6H2,1-3H3/t9-,10-/m0/s1
InChIKeyANXFRGQQLZYBNF-UWVGGRQHSA-N
XLogP1.73
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazole (CID 128792384) is 5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazole is COc1cc(-c2noc([C@H]3CCN(C)[C@@H](C)C3)n2)ncn1.
What is the InChIKey of 5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is ANXFRGQQLZYBNF-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-6-10(4-5-19(9)2)14-17-13(18-21-14)11-7-12(20-3)16-8-15-11/h7-10H,4-6H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of 5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazole?
5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 289.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 128792384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).