3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole

C18H26N4O — CID 133380752

IUPAC3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2cccnc2N2CCC(CCC(C)C)CC2)n1
InChIInChI=1S/C18H26N4O/c1-13(2)6-7-15-8-11-22(12-9-15)17-16(5-4-10-19-17)18-20-14(3)21-23-18/h4-5,10,13,15H,6-9,11-12H2,1-3H3
InChIKeyCAMSNYJJBFGFSL-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.09
Rot. Bonds5

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

3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 133380752) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID133380752
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2cccnc2N2CCC(CCC(C)C)CC2)n1
InChIInChI=1S/C18H26N4O/c1-13(2)6-7-15-8-11-22(12-9-15)17-16(5-4-10-19-17)18-20-14(3)21-23-18/h4-5,10,13,15H,6-9,11-12H2,1-3H3
InChIKeyCAMSNYJJBFGFSL-UHFFFAOYSA-N
XLogP4.09
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[2-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 133317102
(2R)-1-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]propan-2-ol
CID 133486181
1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone
CID 133321152
3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 75382035
(2S)-2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 97308419
N-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 97042284
3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 71924549
[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 75374153
5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 75442478
1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide
CID 71794649
N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 71794521
tert-butyl 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 95929891

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (CID 133380752) is 3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is Cc1noc(-c2cccnc2N2CCC(CCC(C)C)CC2)n1.
What is the InChIKey of 3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is CAMSNYJJBFGFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13(2)6-7-15-8-11-22(12-9-15)17-16(5-4-10-19-17)18-20-14(3)21-23-18/h4-5,10,13,15H,6-9,11-12H2,1-3H3.
What are the key properties of 3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 314.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 133380752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).