5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole

C16H23N5O — CID 96512014

IUPAC5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1n[nH]cc1CCCN1CCC[C@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C16H23N5O/c1(3-12-9-17-18-10-12)7-21-8-2-4-14(11-21)15-19-16(22-20-15)13-5-6-13/h9-10,13-14H,1-8,11H2,(H,17,18)/t14-/m0/s1
InChIKeyOGTOKWPCBXHZEN-AWEZNQCLSA-N
MW301.39 g/mol
LogP2.48
Rot. Bonds6

About 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole

5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 96512014) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID96512014
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1n[nH]cc1CCCN1CCC[C@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C16H23N5O/c1(3-12-9-17-18-10-12)7-21-8-2-4-14(11-21)15-19-16(22-20-15)13-5-6-13/h9-10,13-14H,1-8,11H2,(H,17,18)/t14-/m0/s1
InChIKeyOGTOKWPCBXHZEN-AWEZNQCLSA-N
XLogP2.48
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-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

3-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-methylpropane-1-sulfonamide
CID 96512003
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120852446
5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 95780160
4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile
CID 95780111
5-propan-2-yl-3-[1-[3-(1H-pyrazol-4-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole;hydroiodide
CID 167878547
2-cyclopropyl-5-[[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95780156
(1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol
CID 95780115
5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 71928571
5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 97217338
5-cyclopropyl-3-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 75373746
2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 95780078
(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide
CID 164640738

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole (CID 96512014) is 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole is c1n[nH]cc1CCCN1CCC[C@H](c2noc(C3CC3)n2)C1.
What is the InChIKey of 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is OGTOKWPCBXHZEN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5O/c1(3-12-9-17-18-10-12)7-21-8-2-4-14(11-21)15-19-16(22-20-15)13-5-6-13/h9-10,13-14H,1-8,11H2,(H,17,18)/t14-/m0/s1.
What are the key properties of 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 96512014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).