3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

C18H30N4O — CID 77091149

IUPAC3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCC(C)(CN1CCC[C@H]1c1nc(C2CC2)no1)N1CCCCC1
InChIInChI=1S/C18H30N4O/c1-18(2,22-11-4-3-5-12-22)13-21-10-6-7-15(21)17-19-16(20-23-17)14-8-9-14/h14-15H,3-13H2,1-2H3/t15-/m0/s1
InChIKeyPUPWMPBKELVMST-HNNXBMFYSA-N
MW318.47 g/mol
LogP3.35
Rot. Bonds5

About 3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 77091149) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID77091149
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCC(C)(CN1CCC[C@H]1c1nc(C2CC2)no1)N1CCCCC1
InChIInChI=1S/C18H30N4O/c1-18(2,22-11-4-3-5-12-22)13-21-10-6-7-15(21)17-19-16(20-23-17)14-8-9-14/h14-15H,3-13H2,1-2H3/t15-/m0/s1
InChIKeyPUPWMPBKELVMST-HNNXBMFYSA-N
XLogP3.35
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078020
4-[1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 77083642
5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115077870
5-(1-ethylpiperidin-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 115078014
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 90564707
3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 115077953
tert-butyl 2-(3-cyclononyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate
CID 123705436
2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 95180415
5-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole-3-carbaldehyde
CID 115077815
5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 154749204
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azepan-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 91919998
2-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 129461982

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 77091149) is 3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is CC(C)(CN1CCC[C@H]1c1nc(C2CC2)no1)N1CCCCC1.
What is the InChIKey of 3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is PUPWMPBKELVMST-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-18(2,22-11-4-3-5-12-22)13-21-10-6-7-15(21)17-19-16(20-23-17)14-8-9-14/h14-15H,3-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 318.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 77091149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).