2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

C15H23N5O — CID 71892441

IUPAC2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(CN2CCCC(c3ccn[nH]3)C2)o1
InChIInChI=1S/C15H23N5O/c1-15(2,3)14-19-18-13(21-14)10-20-8-4-5-11(9-20)12-6-7-16-17-12/h6-7,11H,4-5,8-10H2,1-3H3,(H,16,17)
InChIKeyBFJHSJFXWUQQLL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.47
Rot. Bonds3

About 2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 71892441) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID71892441
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(CN2CCCC(c3ccn[nH]3)C2)o1
InChIInChI=1S/C15H23N5O/c1-15(2,3)14-19-18-13(21-14)10-20-8-4-5-11(9-20)12-6-7-16-17-12/h6-7,11H,4-5,8-10H2,1-3H3,(H,16,17)
InChIKeyBFJHSJFXWUQQLL-UHFFFAOYSA-N
XLogP2.47
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 124751627
2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 94114626
1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 122139250
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
2-methyl-4-[4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]but-3-yn-2-ol
CID 45181117
(3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine
CID 176612652
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
3-(furan-2-yl)-5-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124842582
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 113281984
1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 45200707
2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 95762195
1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 127247399

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 71892441) is 2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is CC(C)(C)c1nnc(CN2CCCC(c3ccn[nH]3)C2)o1.
What is the InChIKey of 2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is BFJHSJFXWUQQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-15(2,3)14-19-18-13(21-14)10-20-8-4-5-11(9-20)12-6-7-16-17-12/h6-7,11H,4-5,8-10H2,1-3H3,(H,16,17).
What are the key properties of 2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 289.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71892441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).