5-(6-methoxy-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole;3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole

C46H56N8O5 — CID 159808725

IUPAC5-(6-methoxy-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole;3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)COc1cccc(CN2CCC(c3noc(Cc4ccccn4)n3)C2)c1.COc1cccc(-c2nc(C3CCN(Cc4cccc(OCC(C)C)c4)C3)no2)n1
InChIInChI=1S/C23H28N4O3.C23H28N4O2/c1-16(2)15-29-19-7-4-6-17(12-19)13-27-11-10-18(14-27)22-25-23(30-26-22)20-8-5-9-21(24-20)28-3;1-17(2)16-28-21-8-5-6-18(12-21)14-27-11-9-19(15-27)23-25-22(29-26-23)13-20-7-3-4-10-24-20/h4-9,12,16,18H,10-11,13-15H2,1-3H3;3-8,10,12,17,19H,9,11,13-16H2,1-2H3
InChIKeyNKSYEPOVXWUCMM-UHFFFAOYSA-N
MW801.01 g/mol
LogP8.24
Rot. Bonds16

About 5-(6-methoxy-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole;3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole

5-(6-methoxy-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole;3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 159808725) has the molecular formula C46H56N8O5 and a molecular weight of 801.01 g/mol. Its IUPAC name is 5-(6-methoxy-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole;3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-methoxy-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole;3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID159808725
Molecular FormulaC46H56N8O5
Molecular Weight801.01 g/mol
Exact Mass800.44
IUPAC Name5-(6-methoxy-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole;3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)COc1cccc(CN2CCC(c3noc(Cc4ccccn4)n3)C2)c1.COc1cccc(-c2nc(C3CCN(Cc4cccc(OCC(C)C)c4)C3)no2)n1
InChIInChI=1S/C23H28N4O3.C23H28N4O2/c1-16(2)15-29-19-7-4-6-17(12-19)13-27-11-10-18(14-27)22-25-23(30-26-22)20-8-5-9-21(24-20)28-3;1-17(2)16-28-21-8-5-6-18(12-21)14-27-11-9-19(15-27)23-25-22(29-26-23)13-20-7-3-4-10-24-20/h4-9,12,16,18H,10-11,13-15H2,1-3H3;3-8,10,12,17,19H,9,11,13-16H2,1-2H3
InChIKeyNKSYEPOVXWUCMM-UHFFFAOYSA-N
XLogP8.24
TPSA137.79 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500801.01
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 5-(6-methoxy-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole;3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

[4-[[4-(2,2,2-Trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanone
CID 168268873
[6-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 168282039
[4-[[3-(2,2,2-Trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanone
CID 168295206
[2-[(5-Fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanone
CID 90412190
[6-(3-Phenyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 168273729
AChE/Nrf2 modulator 1
CID 166176937
5-[3-[[1-[(4-Methylphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 171342631
(4-Fluorophenyl)-[3-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone
CID 171342764
5-[3-[[1-[(5-Bromofuran-2-yl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 171343646
5-[3-[[1-[(4-Methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 171344586
[3-[[3-[3-(6-Methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 171346402
(4-Fluorophenyl)-[4-[[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]piperidin-1-yl]methanone
CID 171347842

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole;3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(6-methoxy-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole;3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole (CID 159808725) is 5-(6-methoxy-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole;3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-methoxy-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole;3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-methoxy-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole;3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole is CC(C)COc1cccc(CN2CCC(c3noc(Cc4ccccn4)n3)C2)c1.COc1cccc(-c2nc(C3CCN(Cc4cccc(OCC(C)C)c4)C3)no2)n1.
What is the InChIKey of 5-(6-methoxy-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole;3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is NKSYEPOVXWUCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3.C23H28N4O2/c1-16(2)15-29-19-7-4-6-17(12-19)13-27-11-10-18(14-27)22-25-23(30-26-22)20-8-5-9-21(24-20)28-3;1-17(2)16-28-21-8-5-6-18(12-21)14-27-11-9-19(15-27)23-25-22(29-26-23)13-20-7-3-4-10-24-20/h4-9,12,16,18H,10-11,13-15H2,1-3H3;3-8,10,12,17,19H,9,11,13-16H2,1-2H3.
What are the key properties of 5-(6-methoxy-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole;3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole?
5-(6-methoxy-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole;3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 801.01 g/mol, XLogP of 8.24, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole;3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-5-(pyridin-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 159808725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).