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

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

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Related Compounds

N-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 97042284
3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 133380752
(2S)-2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 97308419
3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 71924549
[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 75374153
N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 71794521
3-methyl-5-[2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 97319679
3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 97319680
3-methyl-5-[2-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 133317102
1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 95781588
N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 97055674
(2R)-1-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]propan-2-ol
CID 133486181

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).