3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole

C12H14N4O — CID 55087040

IUPAC3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESc1cncc(Cc2noc(C3CCCN3)n2)c1
InChIInChI=1S/C12H14N4O/c1-3-9(8-13-5-1)7-11-15-12(17-16-11)10-4-2-6-14-10/h1,3,5,8,10,14H,2,4,6-7H2
InChIKeyIDZQOYOGLNPXHK-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.48
Rot. Bonds3

About 3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole

3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 55087040) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID55087040
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESc1cncc(Cc2noc(C3CCCN3)n2)c1
InChIInChI=1S/C12H14N4O/c1-3-9(8-13-5-1)7-11-15-12(17-16-11)10-4-2-6-14-10/h1,3,5,8,10,14H,2,4,6-7H2
InChIKeyIDZQOYOGLNPXHK-UHFFFAOYSA-N
XLogP1.48
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-fluorophenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900480
3-[(3-bromophenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93244202
5-(2-methylpyrrolidin-3-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 79372126
3-[(3,5-dimethylphenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 62595921
5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 97251152
3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893922
5-(azepan-2-yl)-3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole
CID 64561284
2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 55201048
2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 62550871
5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 62502676
3-(2,2-dimethylpropyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900576
3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900529

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 55087040) is 3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole is c1cncc(Cc2noc(C3CCCN3)n2)c1.
What is the InChIKey of 3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is IDZQOYOGLNPXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-3-9(8-13-5-1)7-11-15-12(17-16-11)10-4-2-6-14-10/h1,3,5,8,10,14H,2,4,6-7H2.
What are the key properties of 3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 230.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 55087040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).