3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C16H23N5O — CID 95288523

IUPAC3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H](C)N2CCN(CCc3ccccn3)CC2)n1
InChIInChI=1S/C16H23N5O/c1-13(16-18-14(2)19-22-16)21-11-9-20(10-12-21)8-6-15-5-3-4-7-17-15/h3-5,7,13H,6,8-12H2,1-2H3/t13-/m1/s1
InChIKeyDCBRSVBLBBEAKJ-CYBMUJFWSA-N
MW301.39 g/mol
LogP1.69
Rot. Bonds5

About 3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 95288523) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID95288523
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H](C)N2CCN(CCc3ccccn3)CC2)n1
InChIInChI=1S/C16H23N5O/c1-13(16-18-14(2)19-22-16)21-11-9-20(10-12-21)8-6-15-5-3-4-7-17-15/h3-5,7,13H,6,8-12H2,1-2H3/t13-/m1/s1
InChIKeyDCBRSVBLBBEAKJ-CYBMUJFWSA-N
XLogP1.69
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 95288523) is 3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is Cc1noc([C@@H](C)N2CCN(CCc3ccccn3)CC2)n1.
What is the InChIKey of 3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is DCBRSVBLBBEAKJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O/c1-13(16-18-14(2)19-22-16)21-11-9-20(10-12-21)8-6-15-5-3-4-7-17-15/h3-5,7,13H,6,8-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95288523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).