3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

C19H27N5O2 — CID 70755273

IUPAC3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2ccc(N3CCC(N4CCCC4)CC3)nc2)n1
InChIInChI=1S/C19H27N5O2/c1-25-13-8-17-21-19(26-22-17)15-4-5-18(20-14-15)24-11-6-16(7-12-24)23-9-2-3-10-23/h4-5,14,16H,2-3,6-13H2,1H3
InChIKeyNEFMYBLFPIMSGD-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.39
Rot. Bonds6

About 3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 70755273) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID70755273
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2ccc(N3CCC(N4CCCC4)CC3)nc2)n1
InChIInChI=1S/C19H27N5O2/c1-25-13-8-17-21-19(26-22-17)15-4-5-18(20-14-15)24-11-6-16(7-12-24)23-9-2-3-10-23/h4-5,14,16H,2-3,6-13H2,1H3
InChIKeyNEFMYBLFPIMSGD-UHFFFAOYSA-N
XLogP2.39
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 71974141
3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 45237589
1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 56769856
5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
CID 95896088
1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
CID 70753740
[(2R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
CID 42362376
5-(6-piperazin-1-yl-3-pyridinyl)-3-propyl-1,2,4-oxadiazole
CID 56686529
5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 136528451
3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 45207093
3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53037167
3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 71978085
N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 45191025

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (CID 70755273) is 3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is COCCc1noc(-c2ccc(N3CCC(N4CCCC4)CC3)nc2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is NEFMYBLFPIMSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-25-13-8-17-21-19(26-22-17)15-4-5-18(20-14-15)24-11-6-16(7-12-24)23-9-2-3-10-23/h4-5,14,16H,2-3,6-13H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 357.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 70755273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).