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

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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).