5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid

C8H11N3O3 — CID 112631757

IUPAC5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(C2CCCNC2)n1
InChIInChI=1S/C8H11N3O3/c12-8(13)6-10-7(14-11-6)5-2-1-3-9-4-5/h5,9H,1-4H2,(H,12,13)
InChIKeyQIRMIXVAOYEREN-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.23
Rot. Bonds2

About 5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid

5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 112631757) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID112631757
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(C2CCCNC2)n1
InChIInChI=1S/C8H11N3O3/c12-8(13)6-10-7(14-11-6)5-2-1-3-9-4-5/h5,9H,1-4H2,(H,12,13)
InChIKeyQIRMIXVAOYEREN-UHFFFAOYSA-N
XLogP0.23
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93357413
5-(thiepan-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 165485101
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382908
5-(1,1-dioxothian-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 115045802
3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 97052951

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid (CID 112631757) is 5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid is O=C(O)c1noc(C2CCCNC2)n1.
What is the InChIKey of 5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is QIRMIXVAOYEREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-8(13)6-10-7(14-11-6)5-2-1-3-9-4-5/h5,9H,1-4H2,(H,12,13).
What are the key properties of 5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid?
5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 112631757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).