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

C16H25N5O — CID 86773475

IUPAC3-butyl-5-[1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCCCc1noc(C(C)N2CCC(c3cn[nH]c3)CC2)n1
InChIInChI=1S/C16H25N5O/c1-3-4-5-15-19-16(22-20-15)12(2)21-8-6-13(7-9-21)14-10-17-18-11-14/h10-13H,3-9H2,1-2H3,(H,17,18)
InChIKeyXDTOSQQDKUVSJA-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.08
Rot. Bonds6

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

3-butyl-5-[1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 86773475) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-butyl-5-[1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-butyl-5-[1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID86773475
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name3-butyl-5-[1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCCCc1noc(C(C)N2CCC(c3cn[nH]c3)CC2)n1
InChIInChI=1S/C16H25N5O/c1-3-4-5-15-19-16(22-20-15)12(2)21-8-6-13(7-9-21)14-10-17-18-11-14/h10-13H,3-9H2,1-2H3,(H,17,18)
InChIKeyXDTOSQQDKUVSJA-UHFFFAOYSA-N
XLogP3.08
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-butyl-5-[1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]-1,2,4-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-[5-[1-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 94814243
1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000693
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]hexanamide
CID 86773310
[1-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 51080710
1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone
CID 94028365
5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole
CID 55682175
2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole
CID 95139617
[1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94405866
7-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457291
5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
CID 75805432
3-butyl-5-propan-2-yl-1,2,4-oxadiazole
CID 123624408
1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 78877280

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-[1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-butyl-5-[1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole (CID 86773475) is 3-butyl-5-[1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-butyl-5-[1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-butyl-5-[1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole is CCCCc1noc(C(C)N2CCC(c3cn[nH]c3)CC2)n1.
What is the InChIKey of 3-butyl-5-[1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is XDTOSQQDKUVSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-3-4-5-15-19-16(22-20-15)12(2)21-8-6-13(7-9-21)14-10-17-18-11-14/h10-13H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 3-butyl-5-[1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
3-butyl-5-[1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 303.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-[1-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 86773475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).