3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole

C21H19N5O — CID 92576526

IUPAC3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESc1cncc(-c2noc([C@@H]3CCN(Cc4ccnc5ccccc45)C3)n2)c1
InChIInChI=1S/C21H19N5O/c1-2-6-19-18(5-1)16(7-10-23-19)13-26-11-8-17(14-26)21-24-20(25-27-21)15-4-3-9-22-12-15/h1-7,9-10,12,17H,8,11,13-14H2/t17-/m1/s1
InChIKeyLXQANRQSOKTLIM-QGZVFWFLSA-N
MW357.42 g/mol
LogP3.67
Rot. Bonds4

About 3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole

3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 92576526) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID92576526
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESc1cncc(-c2noc([C@@H]3CCN(Cc4ccnc5ccccc45)C3)n2)c1
InChIInChI=1S/C21H19N5O/c1-2-6-19-18(5-1)16(7-10-23-19)13-26-11-8-17(14-26)21-24-20(25-27-21)15-4-3-9-22-12-15/h1-7,9-10,12,17H,8,11,13-14H2/t17-/m1/s1
InChIKeyLXQANRQSOKTLIM-QGZVFWFLSA-N
XLogP3.67
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849653
3-pyridin-3-yl-5-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 95849665
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849658
3-(4-methylphenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 95830116
3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133299396
2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908960
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849667
5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 46987468
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 87053047
(3S,4S)-4-phenyl-1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 171915585
2-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 75615332
1-[1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 58968059

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 92576526) is 3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is c1cncc(-c2noc([C@@H]3CCN(Cc4ccnc5ccccc45)C3)n2)c1.
What is the InChIKey of 3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is LXQANRQSOKTLIM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19N5O/c1-2-6-19-18(5-1)16(7-10-23-19)13-26-11-8-17(14-26)21-24-20(25-27-21)15-4-3-9-22-12-15/h1-7,9-10,12,17H,8,11,13-14H2/t17-/m1/s1.
What are the key properties of 3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 357.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 92576526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).