1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C14H19N5O3 — CID 56906474

IUPAC1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCC(C)c1nc(N2CCC(C(=O)O)(n3cccn3)CC2)no1
InChIInChI=1S/C14H19N5O3/c1-10(2)11-16-13(17-22-11)18-8-4-14(5-9-18,12(20)21)19-7-3-6-15-19/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,20,21)
InChIKeyOLFPWWBSYFQXJF-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.47
Rot. Bonds4

About 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56906474) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56906474
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCC(C)c1nc(N2CCC(C(=O)O)(n3cccn3)CC2)no1
InChIInChI=1S/C14H19N5O3/c1-10(2)11-16-13(17-22-11)18-8-4-14(5-9-18,12(20)21)19-7-3-6-15-19/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,20,21)
InChIKeyOLFPWWBSYFQXJF-UHFFFAOYSA-N
XLogP1.47
TPSA97.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56906474) is 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is CC(C)c1nc(N2CCC(C(=O)O)(n3cccn3)CC2)no1.
What is the InChIKey of 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is OLFPWWBSYFQXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-10(2)11-16-13(17-22-11)18-8-4-14(5-9-18,12(20)21)19-7-3-6-15-19/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,20,21).
What are the key properties of 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 305.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56906474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).