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

C13H16N4O — CID 72931664

IUPAC3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1noc(C(c2cccnc2)N2CCCC2)n1
InChIInChI=1S/C13H16N4O/c1-10-15-13(18-16-10)12(17-7-2-3-8-17)11-5-4-6-14-9-11/h4-6,9,12H,2-3,7-8H2,1H3
InChIKeyRJKQMYBCIRLBTB-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.96
Rot. Bonds3

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

3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 72931664) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID72931664
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1noc(C(c2cccnc2)N2CCCC2)n1
InChIInChI=1S/C13H16N4O/c1-10-15-13(18-16-10)12(17-7-2-3-8-17)11-5-4-6-14-9-11/h4-6,9,12H,2-3,7-8H2,1H3
InChIKeyRJKQMYBCIRLBTB-UHFFFAOYSA-N
XLogP1.96
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine
CID 11163071
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
4-[phenyl(pyridin-3-yl)methyl]morpholine
CID 132574107
(2S)-2-piperidin-1-yl-2-pyridin-3-ylethanamine
CID 30075732
3,6-dimethyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72925899
3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine
CID 1492586
3-[(S)-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-pyrrolidin-1-ylmethyl]pyridine
CID 95121082
7-[(S)-pyridin-3-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
CID 675468
4-[(R)-(2-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-pyridin-3-ylmethyl]morpholine
CID 97279651
3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine
CID 82078027
2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol
CID 142393925
1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 4013318

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole (CID 72931664) is 3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole is Cc1noc(C(c2cccnc2)N2CCCC2)n1.
What is the InChIKey of 3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is RJKQMYBCIRLBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-15-13(18-16-10)12(17-7-2-3-8-17)11-5-4-6-14-9-11/h4-6,9,12H,2-3,7-8H2,1H3.
What are the key properties of 3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole?
3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 244.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 72931664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).