5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

C21H22F2N4O3 — CID 128973513

IUPAC5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOC1(c2nc(-c3ccccn3)no2)CCN(Cc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C21H22F2N4O3/c1-28-21(19-25-18(26-30-19)17-4-2-3-11-24-17)9-12-27(13-10-21)14-15-5-7-16(8-6-15)29-20(22)23/h2-8,11,20H,9-10,12-14H2,1H3
InChIKeyPQQFJANZJJGEFD-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.87
Rot. Bonds7

About 5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 128973513) has the molecular formula C21H22F2N4O3 and a molecular weight of 416.43 g/mol. Its IUPAC name is 5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID128973513
Molecular FormulaC21H22F2N4O3
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC Name5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOC1(c2nc(-c3ccccn3)no2)CCN(Cc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C21H22F2N4O3/c1-28-21(19-25-18(26-30-19)17-4-2-3-11-24-17)9-12-27(13-10-21)14-15-5-7-16(8-6-15)29-20(22)23/h2-8,11,20H,9-10,12-14H2,1H3
InChIKeyPQQFJANZJJGEFD-UHFFFAOYSA-N
XLogP3.87
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[4-methoxy-1-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 128973545
5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 100764314
5-[4-methoxy-1-[1-(3-nitrophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 128973551
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
5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 126813335
4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 56564094
3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 128973495
5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 20967064
1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894
8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 74245813
5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26744806
1-benzyl-3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 167866749

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 128973513) is 5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is COC1(c2nc(-c3ccccn3)no2)CCN(Cc2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is PQQFJANZJJGEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O3/c1-28-21(19-25-18(26-30-19)17-4-2-3-11-24-17)9-12-27(13-10-21)14-15-5-7-16(8-6-15)29-20(22)23/h2-8,11,20H,9-10,12-14H2,1H3.
What are the key properties of 5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 416.43 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 128973513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).