5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

C20H29N5O2 — CID 128973545

IUPAC5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOC1(c2nc(-c3ccccn3)no2)CCN(CCC2CCCN2C)CC1
InChIInChI=1S/C20H29N5O2/c1-24-12-5-6-16(24)8-13-25-14-9-20(26-2,10-15-25)19-22-18(23-27-19)17-7-3-4-11-21-17/h3-4,7,11,16H,5-6,8-10,12-15H2,1-2H3
InChIKeyXRJSIGMLHSFKSJ-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.55
Rot. Bonds6

About 5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 128973545) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID128973545
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOC1(c2nc(-c3ccccn3)no2)CCN(CCC2CCCN2C)CC1
InChIInChI=1S/C20H29N5O2/c1-24-12-5-6-16(24)8-13-25-14-9-20(26-2,10-15-25)19-22-18(23-27-19)17-7-3-4-11-21-17/h3-4,7,11,16H,5-6,8-10,12-15H2,1-2H3
InChIKeyXRJSIGMLHSFKSJ-UHFFFAOYSA-N
XLogP2.55
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 128973513
5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 126813335
5-[4-methoxy-1-[1-(3-nitrophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 128973551
5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 100764314
4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole
CID 178091685
3-tert-butyl-5-[[4-methoxy-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128973556
2-propyl-4-pyridin-2-yl-5-[2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazol-3-one
CID 170977784
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 141201313
N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridin-2-amine
CID 141285669
4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine
CID 128966757
5-[(3aS,6aS)-2-[3-(2-methylimidazol-1-yl)propyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 128968025
3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 25282589

Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 128973545) is 5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is COC1(c2nc(-c3ccccn3)no2)CCN(CCC2CCCN2C)CC1.
What is the InChIKey of 5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is XRJSIGMLHSFKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-24-12-5-6-16(24)8-13-25-14-9-20(26-2,10-15-25)19-22-18(23-27-19)17-7-3-4-11-21-17/h3-4,7,11,16H,5-6,8-10,12-15H2,1-2H3.
What are the key properties of 5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 371.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 128973545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).