(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol

C19H26N4O3 — CID 26744156

IUPAC(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol
SMILESCOc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3C3CCN(C)CC3)n2)cc1
InChIInChI=1S/C19H26N4O3/c1-22-9-7-14(8-10-22)23-12-15(24)11-17(23)19-20-18(21-26-19)13-3-5-16(25-2)6-4-13/h3-6,14-15,17,24H,7-12H2,1-2H3/t15-,17+/m1/s1
InChIKeyFCVOKYODWDCULW-WBVHZDCISA-N
MW358.44 g/mol
LogP1.95
Rot. Bonds4

About (3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol

(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol (PubChem CID 26744156) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol
PubChem CID26744156
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol
SMILESCOc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3C3CCN(C)CC3)n2)cc1
InChIInChI=1S/C19H26N4O3/c1-22-9-7-14(8-10-22)23-12-15(24)11-17(23)19-20-18(21-26-19)13-3-5-16(25-2)6-4-13/h3-6,14-15,17,24H,7-12H2,1-2H3/t15-,17+/m1/s1
InChIKeyFCVOKYODWDCULW-WBVHZDCISA-N
XLogP1.95
TPSA74.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol 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-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506841
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol
CID 26744170
4-[[4-hydroxy-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid
CID 74507350
1-[(4-methoxyphenyl)methyl]-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506824
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 26744162
N-hydroxy-4-[[(2R,4R)-4-hydroxy-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzeneamine oxide
CID 163146866
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol
CID 26744188
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(4-nitrophenyl)methyl]pyrrolidin-3-ol
CID 26744158
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 26744186
5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol
CID 74507272
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63345681
(3R,5R)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912169

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol (CID 26744156) is (3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol is COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3C3CCN(C)CC3)n2)cc1.
What is the InChIKey of (3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol?
The InChIKey is FCVOKYODWDCULW-WBVHZDCISA-N. The full InChI is InChI=1S/C19H26N4O3/c1-22-9-7-14(8-10-22)23-12-15(24)11-17(23)19-20-18(21-26-19)13-3-5-16(25-2)6-4-13/h3-6,14-15,17,24H,7-12H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of (3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol?
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol has a molecular weight of 358.44 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 26744156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).