3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole

C13H21N3O — CID 94383023

IUPAC3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCC1CCN([C@@H](C)c2nc(C3CC3)no2)CC1
InChIInChI=1S/C13H21N3O/c1-9-5-7-16(8-6-9)10(2)13-14-12(15-17-13)11-3-4-11/h9-11H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyKKRJNSSCRIDACJ-JTQLQIEISA-N
MW235.33 g/mol
LogP2.74
Rot. Bonds3

About 3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 94383023) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID94383023
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCC1CCN([C@@H](C)c2nc(C3CC3)no2)CC1
InChIInChI=1S/C13H21N3O/c1-9-5-7-16(8-6-9)10(2)13-14-12(15-17-13)11-3-4-11/h9-11H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyKKRJNSSCRIDACJ-JTQLQIEISA-N
XLogP2.74
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 94189858
5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 51086696
3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 80609640
(1S)-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263723
(3R,5R)-3-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-5-methyloxolan-2-one
CID 95281872
4-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
CID 47053030
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
3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95278685
3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 47053059
3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 71996537
5-[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 60501468

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole (CID 94383023) is 3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole is CC1CCN([C@@H](C)c2nc(C3CC3)no2)CC1.
What is the InChIKey of 3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is KKRJNSSCRIDACJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-5-7-16(8-6-9)10(2)13-14-12(15-17-13)11-3-4-11/h9-11H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 235.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 94383023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).