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

C11H19N3O — CID 67986572

IUPAC3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2CCCCN2C(C)C)n1
InChIInChI=1S/C11H19N3O/c1-8(2)14-7-5-4-6-10(14)11-12-9(3)13-15-11/h8,10H,4-7H2,1-3H3
InChIKeyCEPLWFDGCBKFGR-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.31
Rot. Bonds2

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

3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 67986572) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID67986572
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2CCCCN2C(C)C)n1
InChIInChI=1S/C11H19N3O/c1-8(2)14-7-5-4-6-10(14)11-12-9(3)13-15-11/h8,10H,4-7H2,1-3H3
InChIKeyCEPLWFDGCBKFGR-UHFFFAOYSA-N
XLogP2.31
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115078001
N-methyl-1-[5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078063
N-methyl-3-[5-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115077926
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 53338089
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
(1S,6S)-6-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 51984943
5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 115080796
[5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine
CID 115094077
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
CID 110196408
5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95110558
5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 56728123
2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081403

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole (CID 67986572) is 3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole is Cc1noc(C2CCCCN2C(C)C)n1.
What is the InChIKey of 3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is CEPLWFDGCBKFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)14-7-5-4-6-10(14)11-12-9(3)13-15-11/h8,10H,4-7H2,1-3H3.
What are the key properties of 3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole?
3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 209.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 67986572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).