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

C11H17N3O3 — CID 115081706

IUPAC3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCC(C)N1CCC(c2noc(C(=O)O)n2)CC1
InChIInChI=1S/C11H17N3O3/c1-7(2)14-5-3-8(4-6-14)9-12-10(11(15)16)17-13-9/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyVDSJKEMJMKVVAN-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.36
Rot. Bonds3

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

3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 115081706) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid
PubChem CID115081706
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCC(C)N1CCC(c2noc(C(=O)O)n2)CC1
InChIInChI=1S/C11H17N3O3/c1-7(2)14-5-3-8(4-6-14)9-12-10(11(15)16)17-13-9/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyVDSJKEMJMKVVAN-UHFFFAOYSA-N
XLogP1.36
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol
CID 115079897
3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081722
3-(thiolan-3-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115021927
2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115077226
N-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081288
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 79665811
1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63345470
3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115077232
1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 115080074
2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080195
3-(oxan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115021305
1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 94189858

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid (CID 115081706) is 3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The canonical SMILES for 3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid is CC(C)N1CCC(c2noc(C(=O)O)n2)CC1.
What is the InChIKey of 3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The InChIKey is VDSJKEMJMKVVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)14-5-3-8(4-6-14)9-12-10(11(15)16)17-13-9/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid?
3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 115081706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).