3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole

C16H23N5O — CID 95342388

IUPAC3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESC[C@@H](c1nc(C2CC2)no1)N1CCCC[C@@H]1Cn1cccn1
InChIInChI=1S/C16H23N5O/c1-12(16-18-15(19-22-16)13-6-7-13)21-10-3-2-5-14(21)11-20-9-4-8-17-20/h4,8-9,12-14H,2-3,5-7,10-11H2,1H3/t12-,14+/m0/s1
InChIKeySVJGAOZAEHGOSC-GXTWGEPZSA-N
MW301.39 g/mol
LogP2.76
Rot. Bonds5

About 3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 95342388) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID95342388
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESC[C@@H](c1nc(C2CC2)no1)N1CCCC[C@@H]1Cn1cccn1
InChIInChI=1S/C16H23N5O/c1-12(16-18-15(19-22-16)13-6-7-13)21-10-3-2-5-14(21)11-20-9-4-8-17-20/h4,8-9,12-14H,2-3,5-7,10-11H2,1H3/t12-,14+/m0/s1
InChIKeySVJGAOZAEHGOSC-GXTWGEPZSA-N
XLogP2.76
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-methyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95347728
3-cyclopropyl-5-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 129461569
3-cyclopropyl-5-[(1S)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95609984
3-cyclopropyl-5-[(1R)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95308416
(2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95283780
2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111490235
3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95323445
(2R)-1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95312285
3-phenyl-5-[(1S)-1-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95315336
3-cyclopropyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,2,4-oxadiazol-5-amine
CID 75399656
5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 51086696
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129447804

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole (CID 95342388) is 3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole is C[C@@H](c1nc(C2CC2)no1)N1CCCC[C@@H]1Cn1cccn1.
What is the InChIKey of 3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is SVJGAOZAEHGOSC-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12(16-18-15(19-22-16)13-6-7-13)21-10-3-2-5-14(21)11-20-9-4-8-17-20/h4,8-9,12-14H,2-3,5-7,10-11H2,1H3/t12-,14+/m0/s1.
What are the key properties of 3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95342388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).