3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

C15H20N4O3 — CID 45237589

IUPAC3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCc1noc(-c2ccc(N3CCCC(OC)C3)nc2)n1
InChIInChI=1S/C15H20N4O3/c1-20-10-13-17-15(22-18-13)11-5-6-14(16-8-11)19-7-3-4-12(9-19)21-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3
InChIKeyXZPCTCYCCLJRFV-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.89
Rot. Bonds5

About 3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 45237589) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID45237589
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCc1noc(-c2ccc(N3CCCC(OC)C3)nc2)n1
InChIInChI=1S/C15H20N4O3/c1-20-10-13-17-15(22-18-13)11-5-6-14(16-8-11)19-7-3-4-12(9-19)21-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3
InChIKeyXZPCTCYCCLJRFV-UHFFFAOYSA-N
XLogP1.89
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 56769856
3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 45207093
[(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol
CID 25378184
[(2R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
CID 42362376
[(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol
CID 42458820
3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 70755273
6-[(3S)-3-methoxypiperidin-1-yl]pyridin-3-amine
CID 129395792
5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
CID 95896088
(3R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-3-(2-methylphenyl)pyrrolidin-3-ol
CID 95891551
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56769872
(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 94074874
3-methyl-5-[6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 70751985

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (CID 45237589) is 3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is COCc1noc(-c2ccc(N3CCCC(OC)C3)nc2)n1.
What is the InChIKey of 3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is XZPCTCYCCLJRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-20-10-13-17-15(22-18-13)11-5-6-14(16-8-11)19-7-3-4-12(9-19)21-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 304.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 45237589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).