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

C15H20N4O — CID 45204533

IUPAC3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCc1cccnc1-c1noc(C2CCN(C(C)C)C2)n1
InChIInChI=1S/C15H20N4O/c1-10(2)19-8-6-12(9-19)15-17-14(18-20-15)13-11(3)5-4-7-16-13/h4-5,7,10,12H,6,8-9H2,1-3H3
InChIKeyHSYPJDHYGYTMRJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.64
Rot. Bonds3

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

3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 45204533) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID45204533
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCc1cccnc1-c1noc(C2CCN(C(C)C)C2)n1
InChIInChI=1S/C15H20N4O/c1-10(2)19-8-6-12(9-19)15-17-14(18-20-15)13-11(3)5-4-7-16-13/h4-5,7,10,12H,6,8-9H2,1-3H3
InChIKeyHSYPJDHYGYTMRJ-UHFFFAOYSA-N
XLogP2.64
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 44628365
N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 44629230
4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240288
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 104899212
4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200979
6-methyl-N-(3-methyl-2-pyridinyl)-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-amine
CID 95842210
3-(2-methylphenyl)-5-[(3S)-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 95830078
3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 115076999
N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350786
5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 97020839
3-(2-methylphenyl)-5-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 110091590
3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349824

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 45204533) is 3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole is Cc1cccnc1-c1noc(C2CCN(C(C)C)C2)n1.
What is the InChIKey of 3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is HSYPJDHYGYTMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)19-8-6-12(9-19)15-17-14(18-20-15)13-11(3)5-4-7-16-13/h4-5,7,10,12H,6,8-9H2,1-3H3.
What are the key properties of 3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 45204533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).