5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol

C19H23N3O4 — CID 74507272

IUPAC5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol
SMILESOC1CC(c2nc(-c3ccc4c(c3)OCO4)no2)N(C2CCCCC2)C1
InChIInChI=1S/C19H23N3O4/c23-14-9-15(22(10-14)13-4-2-1-3-5-13)19-20-18(21-26-19)12-6-7-16-17(8-12)25-11-24-16/h6-8,13-15,23H,1-5,9-11H2
InChIKeyHTNUJVSNSPXRNZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.91
Rot. Bonds3

About 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol

5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol (PubChem CID 74507272) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol.

Molecular Properties

Compound Name5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol
PubChem CID74507272
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol
SMILESOC1CC(c2nc(-c3ccc4c(c3)OCO4)no2)N(C2CCCCC2)C1
InChIInChI=1S/C19H23N3O4/c23-14-9-15(22(10-14)13-4-2-1-3-5-13)19-20-18(21-26-19)12-6-7-16-17(8-12)25-11-24-16/h6-8,13-15,23H,1-5,9-11H2
InChIKeyHTNUJVSNSPXRNZ-UHFFFAOYSA-N
XLogP2.91
TPSA80.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(cyclopropylmethyl)pyrrolidin-3-ol
CID 74507308
(3R,5S)-5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-3-ol
CID 26744475
(3R,5S)-5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(4-methoxynaphthalen-1-yl)methyl]pyrrolidin-3-ol
CID 26744429
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol
CID 26744156
1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506841
(3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 26743772
(3R,5S)-1-(cyclohexylmethyl)-5-[3-[3-[hydroxy(oxido)amino]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 163149561
1,3-benzodioxol-5-yl-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 42760369
(1S,2S,3S,4R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbicyclo[2.2.1]heptane-2-carboxamide
CID 171337004
3-(1,3-benzodioxol-5-yl)-5-[(1S,2R)-2-piperidin-4-ylcyclopropyl]-1,2,4-oxadiazole
CID 155952131
N-[5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 74577598
1-[(3R,5S)-5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 162836939

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol?
The IUPAC name of 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol (CID 74507272) is 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol.
What is the SMILES notation for 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol?
The canonical SMILES for 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol is OC1CC(c2nc(-c3ccc4c(c3)OCO4)no2)N(C2CCCCC2)C1.
What is the InChIKey of 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol?
The InChIKey is HTNUJVSNSPXRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-14-9-15(22(10-14)13-4-2-1-3-5-13)19-20-18(21-26-19)12-6-7-16-17(8-12)25-11-24-16/h6-8,13-15,23H,1-5,9-11H2.
What are the key properties of 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol?
5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol has a molecular weight of 357.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol is sourced from PubChem (CID 74507272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).