3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole

C15H20N4O — CID 106983458

IUPAC3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCc1cnccc1-c1noc(C2(C(C)C)CCNC2)n1
InChIInChI=1S/C15H20N4O/c1-10(2)15(5-7-17-9-15)14-18-13(19-20-14)12-4-6-16-8-11(12)3/h4,6,8,10,17H,5,7,9H2,1-3H3
InChIKeyIUPLTVLAFBTAIT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.33
Rot. Bonds3

About 3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 106983458) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID106983458
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCc1cnccc1-c1noc(C2(C(C)C)CCNC2)n1
InChIInChI=1S/C15H20N4O/c1-10(2)15(5-7-17-9-15)14-18-13(19-20-14)12-4-6-16-8-11(12)3/h4,6,8,10,17H,5,7,9H2,1-3H3
InChIKeyIUPLTVLAFBTAIT-UHFFFAOYSA-N
XLogP2.33
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylphenyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983333
3-(4-methylsulfanylphenyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983519
3-(3-chloro-4-fluorophenyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983391
(1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899860
3-butan-2-yl-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983393
5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 106983380
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743581
5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983360
3-(2-methyloxan-2-yl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983445
3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983493
1-propan-2-yl-2-(3-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-c]pyridine
CID 106983249
5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 63144302

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 106983458) is 3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole is Cc1cnccc1-c1noc(C2(C(C)C)CCNC2)n1.
What is the InChIKey of 3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is IUPLTVLAFBTAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)15(5-7-17-9-15)14-18-13(19-20-14)12-4-6-16-8-11(12)3/h4,6,8,10,17H,5,7,9H2,1-3H3.
What are the key properties of 3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106983458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).