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

C13H18F3N3O — CID 100836889

IUPAC3-cyclopropyl-5-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESC[C@H](c1nc(C2CC2)no1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C13H18F3N3O/c1-8(12-17-11(18-20-12)9-4-5-9)19-6-2-3-10(7-19)13(14,15)16/h8-10H,2-7H2,1H3/t8-,10-/m1/s1
InChIKeyHALBHMSEKVNJOU-PSASIEDQSA-N
MW289.30 g/mol
LogP3.28
Rot. Bonds3

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

3-cyclopropyl-5-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 100836889) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID100836889
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name3-cyclopropyl-5-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESC[C@H](c1nc(C2CC2)no1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C13H18F3N3O/c1-8(12-17-11(18-20-12)9-4-5-9)19-6-2-3-10(7-19)13(14,15)16/h8-10H,2-7H2,1H3/t8-,10-/m1/s1
InChIKeyHALBHMSEKVNJOU-PSASIEDQSA-N
XLogP3.28
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-propyl-5-[(1S)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 100835877
3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 98763222
3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 94383023
5-[(1S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 95325345
3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 80609640
3-cyclopropyl-5-[(1S)-1-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95309191
3-cyclopropyl-5-[(1R)-1-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95309192
3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 98798335
5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 51086696
1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 94189858
cyclopentyl-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 94394067
3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95155264

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole (CID 100836889) is 3-cyclopropyl-5-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole is C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of 3-cyclopropyl-5-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is HALBHMSEKVNJOU-PSASIEDQSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8(12-17-11(18-20-12)9-4-5-9)19-6-2-3-10(7-19)13(14,15)16/h8-10H,2-7H2,1H3/t8-,10-/m1/s1.
What are the key properties of 3-cyclopropyl-5-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 289.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 100836889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).