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

C17H23N5O — CID 71978085

IUPAC3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2ccnc(N3CCC(N4CCCC4)CC3)c2)n1
InChIInChI=1S/C17H23N5O/c1-13-19-17(23-20-13)14-4-7-18-16(12-14)22-10-5-15(6-11-22)21-8-2-3-9-21/h4,7,12,15H,2-3,5-6,8-11H2,1H3
InChIKeyMNIPGAVBEWQJNR-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.50
Rot. Bonds3

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

3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole (PubChem CID 71978085) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
PubChem CID71978085
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2ccnc(N3CCC(N4CCCC4)CC3)c2)n1
InChIInChI=1S/C17H23N5O/c1-13-19-17(23-20-13)14-4-7-18-16(12-14)22-10-5-15(6-11-22)21-8-2-3-9-21/h4,7,12,15H,2-3,5-6,8-11H2,1H3
InChIKeyMNIPGAVBEWQJNR-UHFFFAOYSA-N
XLogP2.50
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56770081
2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol
CID 46985548
N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 169413534
N-(3,5-dimethoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 133362349
1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine
CID 56770198
5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 56713734
5-(3,4-difluorophenyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole
CID 99033707
(3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 164688984
2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
CID 61242795
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769826
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 56686570
(1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol
CID 97216279

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole (CID 71978085) is 3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole is Cc1noc(-c2ccnc(N3CCC(N4CCCC4)CC3)c2)n1.
What is the InChIKey of 3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is MNIPGAVBEWQJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-19-17(23-20-13)14-4-7-18-16(12-14)22-10-5-15(6-11-22)21-8-2-3-9-21/h4,7,12,15H,2-3,5-6,8-11H2,1H3.
What are the key properties of 3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole?
3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 313.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71978085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).