3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole

C15H20N4O — CID 106977926

IUPAC3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(-c3cccc(C)n3)no2)CCCN1
InChIInChI=1S/C15H20N4O/c1-3-8-15(9-5-10-16-15)14-18-13(19-20-14)12-7-4-6-11(2)17-12/h4,6-7,16H,3,5,8-10H2,1-2H3
InChIKeyDYSBCNUYUIZPPE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.82
Rot. Bonds4

About 3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole

3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 106977926) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID106977926
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(-c3cccc(C)n3)no2)CCCN1
InChIInChI=1S/C15H20N4O/c1-3-8-15(9-5-10-16-15)14-18-13(19-20-14)12-7-4-6-11(2)17-12/h4,6-7,16H,3,5,8-10H2,1-2H3
InChIKeyDYSBCNUYUIZPPE-UHFFFAOYSA-N
XLogP2.82
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 83071343
3-(4-methylphenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977854
3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977992
3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977880
1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81162267
3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977865
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977934
3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977975
3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 83070290
3-(4-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 83071262
3-(1-methoxycyclohexyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106978030
4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole
CID 106978073

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 106977926) is 3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole is CCCC1(c2nc(-c3cccc(C)n3)no2)CCCN1.
What is the InChIKey of 3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is DYSBCNUYUIZPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-8-15(9-5-10-16-15)14-18-13(19-20-14)12-7-4-6-11(2)17-12/h4,6-7,16H,3,5,8-10H2,1-2H3.
What are the key properties of 3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106977926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).