1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

C20H23N5O2 — CID 74506629

IUPAC1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCN(C)c1ccc(CN2CC(O)CC2c2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C20H23N5O2/c1-24(2)15-8-6-14(7-9-15)12-25-13-16(26)11-18(25)20-22-19(23-27-20)17-5-3-4-10-21-17/h3-10,16,18,26H,11-13H2,1-2H3
InChIKeyBZLKBMFEMYILTM-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.51
Rot. Bonds5

About 1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 74506629) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID74506629
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCN(C)c1ccc(CN2CC(O)CC2c2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C20H23N5O2/c1-24(2)15-8-6-14(7-9-15)12-25-13-16(26)11-18(25)20-22-19(23-27-20)17-5-3-4-10-21-17/h3-10,16,18,26H,11-13H2,1-2H3
InChIKeyBZLKBMFEMYILTM-UHFFFAOYSA-N
XLogP2.51
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506631
1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506877
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 26744186
1-[[4-(dimethylamino)phenyl]methyl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 74506588
(3R,5S)-1-[[4-(dimethylamino)phenyl]methyl]-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 26743776
1-[[4-(dimethylamino)phenyl]methyl]-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 74506718
(3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 26743556
N-[4-[[4-hydroxy-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 74506502
1-[4-[(2S,4R)-4-hydroxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 26743656
1-[(4-methylsulfonylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506570
(3R,5S)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 26743854
1-benzyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 74507208

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 74506629) is 1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is CN(C)c1ccc(CN2CC(O)CC2c2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of 1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is BZLKBMFEMYILTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-24(2)15-8-6-14(7-9-15)12-25-13-16(26)11-18(25)20-22-19(23-27-20)17-5-3-4-10-21-17/h3-10,16,18,26H,11-13H2,1-2H3.
What are the key properties of 1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 365.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 74506629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).