5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole

C14H22N6O — CID 126766182

IUPAC5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCCn1c(C)nnc1CN1CCCC(c2nc(C)no2)C1
InChIInChI=1S/C14H22N6O/c1-4-20-11(3)16-17-13(20)9-19-7-5-6-12(8-19)14-15-10(2)18-21-14/h12H,4-9H2,1-3H3
InChIKeyRUHJLYKFPVLIHL-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.68
Rot. Bonds4

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

5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 126766182) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID126766182
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCCn1c(C)nnc1CN1CCCC(c2nc(C)no2)C1
InChIInChI=1S/C14H22N6O/c1-4-20-11(3)16-17-13(20)9-19-7-5-6-12(8-19)14-15-10(2)18-21-14/h12H,4-9H2,1-3H3
InChIKeyRUHJLYKFPVLIHL-UHFFFAOYSA-N
XLogP1.68
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 87023145
5-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94207638
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129491666
3-methyl-5-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 122152728
5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60565067
3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934
4-[[4-methyl-5-[(3S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 95885484
3-methyl-5-[1-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 138052921
5-[(3R)-1-[(2-bromo-3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 97009022
1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 100837417
5-[(3S)-1-[(4-bromopyrazol-1-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94210789
2-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136755534

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 126766182) is 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole is CCn1c(C)nnc1CN1CCCC(c2nc(C)no2)C1.
What is the InChIKey of 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is RUHJLYKFPVLIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-4-20-11(3)16-17-13(20)9-19-7-5-6-12(8-19)14-15-10(2)18-21-14/h12H,4-9H2,1-3H3.
What are the key properties of 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 290.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 126766182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).