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

C16H22N4O3 — CID 45186809

IUPAC3-(methoxymethyl)-5-[6-[2-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCc1noc(-c2ccc(N3CCCCC3COC)nc2)n1
InChIInChI=1S/C16H22N4O3/c1-21-10-13-5-3-4-8-20(13)15-7-6-12(9-17-15)16-18-14(11-22-2)19-23-16/h6-7,9,13H,3-5,8,10-11H2,1-2H3
InChIKeyNNDVFJWAFPWXBJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.28
Rot. Bonds6

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

3-(methoxymethyl)-5-[6-[2-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 45186809) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[6-[2-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[6-[2-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID45186809
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-(methoxymethyl)-5-[6-[2-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCc1noc(-c2ccc(N3CCCCC3COC)nc2)n1
InChIInChI=1S/C16H22N4O3/c1-21-10-13-5-3-4-8-20(13)15-7-6-12(9-17-15)16-18-14(11-22-2)19-23-16/h6-7,9,13H,3-5,8,10-11H2,1-2H3
InChIKeyNNDVFJWAFPWXBJ-UHFFFAOYSA-N
XLogP2.28
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(methoxymethyl)-5-[6-[2-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,4-Oxadiazole, 3,5-bis(3-pyridinyl)-
CID 577830
2-[5-(3-Pyridinyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 798247
3-Phenyl-5-(3-pyridyl)-1,2,4-oxadiazole
CID 1122276
(3S,4S)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol
CID 118264112
3-(2-Methoxy-6-methylpyridin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 913807
N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 25282110
((2S)-1-{5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}-2-pyrrolidinyl)methanol
CID 25455986
(1-{5-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}-2-piperidinyl)methanol
CID 45183809
[1-[5-[3-(2-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
CID 45226955
2-[4-(5-{3-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-YL}pyridin-2-YL)piperazin-1-YL]ethanol
CID 70724909
5-[5-[1-[5-[6-(2-Methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 66828219
5-[5-[1-[5-[6-[2-Methoxyethyl(methyl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 66828222

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[6-[2-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(methoxymethyl)-5-[6-[2-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (CID 45186809) is 3-(methoxymethyl)-5-[6-[2-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-[6-[2-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-[6-[2-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is COCc1noc(-c2ccc(N3CCCCC3COC)nc2)n1.
What is the InChIKey of 3-(methoxymethyl)-5-[6-[2-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is NNDVFJWAFPWXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-21-10-13-5-3-4-8-20(13)15-7-6-12(9-17-15)16-18-14(11-22-2)19-23-16/h6-7,9,13H,3-5,8,10-11H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-5-[6-[2-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
3-(methoxymethyl)-5-[6-[2-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 318.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[6-[2-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 45186809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).