1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

C17H23N5O2 — CID 74506841

IUPAC1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCN1CCC(N2CC(O)CC2c2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C17H23N5O2/c1-21-8-4-13(5-9-21)22-11-14(23)10-15(22)17-19-16(20-24-17)12-2-6-18-7-3-12/h2-3,6-7,13-15,23H,4-5,8-11H2,1H3
InChIKeyNZGLULSJZAVUAA-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.33
Rot. Bonds3

About 1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 74506841) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID74506841
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCN1CCC(N2CC(O)CC2c2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C17H23N5O2/c1-21-8-4-13(5-9-21)22-11-14(23)10-15(22)17-19-16(20-24-17)12-2-6-18-7-3-12/h2-3,6-7,13-15,23H,4-5,8-11H2,1H3
InChIKeyNZGLULSJZAVUAA-UHFFFAOYSA-N
XLogP1.33
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-ol
CID 26744156
1-[(4-methoxyphenyl)methyl]-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506824
1-[(2-hydroxyphenyl)methyl]-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506843
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
5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclohexylpyrrolidin-3-ol
CID 74507272
5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99611541
1-(pyridin-4-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506891
(3R,5S)-1-(cyclopropylmethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 26743592
(3R,5S)-1-(cyclopropylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 26743994
1-[4-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 74506963
1-(1-methylpiperidin-4-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 69077002
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 26744162

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 74506841) is 1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is CN1CCC(N2CC(O)CC2c2nc(-c3ccncc3)no2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is NZGLULSJZAVUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21-8-4-13(5-9-21)22-11-14(23)10-15(22)17-19-16(20-24-17)12-2-6-18-7-3-12/h2-3,6-7,13-15,23H,4-5,8-11H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 329.40 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 74506841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).