3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

C17H17N5O2 — CID 75382035

IUPAC3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2cccnc2N2CCC(Oc3ccccn3)C2)n1
InChIInChI=1S/C17H17N5O2/c1-12-20-17(24-21-12)14-5-4-9-19-16(14)22-10-7-13(11-22)23-15-6-2-3-8-18-15/h2-6,8-9,13H,7,10-11H2,1H3
InChIKeyAMRLIQAMMZOOKR-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.49
Rot. Bonds4

About 3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 75382035) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID75382035
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2cccnc2N2CCC(Oc3ccccn3)C2)n1
InChIInChI=1S/C17H17N5O2/c1-12-20-17(24-21-12)14-5-4-9-19-16(14)22-10-7-13(11-22)23-15-6-2-3-8-18-15/h2-6,8-9,13H,7,10-11H2,1H3
InChIKeyAMRLIQAMMZOOKR-UHFFFAOYSA-N
XLogP2.49
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (CID 75382035) is 3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is Cc1noc(-c2cccnc2N2CCC(Oc3ccccn3)C2)n1.
What is the InChIKey of 3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is AMRLIQAMMZOOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-20-17(24-21-12)14-5-4-9-19-16(14)22-10-7-13(11-22)23-15-6-2-3-8-18-15/h2-6,8-9,13H,7,10-11H2,1H3.
What are the key properties of 3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 323.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 75382035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).