5-(2-piperidin-4-yloxy-3-pyridinyl)-3-(quinolin-5-ylmethyl)-1,2,4-oxadiazole

C22H21N5O2 — CID 127037613

IUPAC5-(2-piperidin-4-yloxy-3-pyridinyl)-3-(quinolin-5-ylmethyl)-1,2,4-oxadiazole
SMILESc1cnc(OC2CCNCC2)c(-c2nc(Cc3cccc4ncccc34)no2)c1
InChIInChI=1S/C22H21N5O2/c1-4-15(17-5-2-10-24-19(17)7-1)14-20-26-22(29-27-20)18-6-3-11-25-21(18)28-16-8-12-23-13-9-16/h1-7,10-11,16,23H,8-9,12-14H2
InChIKeyVVRMXUIJAGHARU-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.40
Rot. Bonds5

About 5-(2-piperidin-4-yloxy-3-pyridinyl)-3-(quinolin-5-ylmethyl)-1,2,4-oxadiazole

5-(2-piperidin-4-yloxy-3-pyridinyl)-3-(quinolin-5-ylmethyl)-1,2,4-oxadiazole (PubChem CID 127037613) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-(2-piperidin-4-yloxy-3-pyridinyl)-3-(quinolin-5-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-piperidin-4-yloxy-3-pyridinyl)-3-(quinolin-5-ylmethyl)-1,2,4-oxadiazole
PubChem CID127037613
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name5-(2-piperidin-4-yloxy-3-pyridinyl)-3-(quinolin-5-ylmethyl)-1,2,4-oxadiazole
SMILESc1cnc(OC2CCNCC2)c(-c2nc(Cc3cccc4ncccc34)no2)c1
InChIInChI=1S/C22H21N5O2/c1-4-15(17-5-2-10-24-19(17)7-1)14-20-26-22(29-27-20)18-6-3-11-25-21(18)28-16-8-12-23-13-9-16/h1-7,10-11,16,23H,8-9,12-14H2
InChIKeyVVRMXUIJAGHARU-UHFFFAOYSA-N
XLogP3.40
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-4-yloxy-3-pyridinyl)-3-(quinolin-5-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-piperidin-4-yloxy-3-pyridinyl)-3-(quinolin-5-ylmethyl)-1,2,4-oxadiazole (CID 127037613) is 5-(2-piperidin-4-yloxy-3-pyridinyl)-3-(quinolin-5-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-piperidin-4-yloxy-3-pyridinyl)-3-(quinolin-5-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-piperidin-4-yloxy-3-pyridinyl)-3-(quinolin-5-ylmethyl)-1,2,4-oxadiazole is c1cnc(OC2CCNCC2)c(-c2nc(Cc3cccc4ncccc34)no2)c1.
What is the InChIKey of 5-(2-piperidin-4-yloxy-3-pyridinyl)-3-(quinolin-5-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is VVRMXUIJAGHARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-4-15(17-5-2-10-24-19(17)7-1)14-20-26-22(29-27-20)18-6-3-11-25-21(18)28-16-8-12-23-13-9-16/h1-7,10-11,16,23H,8-9,12-14H2.
What are the key properties of 5-(2-piperidin-4-yloxy-3-pyridinyl)-3-(quinolin-5-ylmethyl)-1,2,4-oxadiazole?
5-(2-piperidin-4-yloxy-3-pyridinyl)-3-(quinolin-5-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 387.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-4-yloxy-3-pyridinyl)-3-(quinolin-5-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 127037613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).