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

C16H24N6O — CID 129484503

IUPAC3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole
SMILESCN1CCN(CCc2ccnn2C)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C16H24N6O/c1-20-9-10-22(8-6-13-5-7-17-21(13)2)11-14(20)16-18-15(19-23-16)12-3-4-12/h5,7,12,14H,3-4,6,8-11H2,1-2H3/t14-/m0/s1
InChIKeyNPRBIGJDZYODMG-AWEZNQCLSA-N
MW316.41 g/mol
LogP1.21
Rot. Bonds5

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

3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole (PubChem CID 129484503) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole
PubChem CID129484503
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole
SMILESCN1CCN(CCc2ccnn2C)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C16H24N6O/c1-20-9-10-22(8-6-13-5-7-17-21(13)2)11-14(20)16-18-15(19-23-16)12-3-4-12/h5,7,12,14H,3-4,6,8-11H2,1-2H3/t14-/m0/s1
InChIKeyNPRBIGJDZYODMG-AWEZNQCLSA-N
XLogP1.21
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole
CID 129486090
5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129484536
3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
CID 129485017
3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
CID 128980573
3-cyclopropyl-5-[(2R)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
CID 129485091
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015106
(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone
CID 129483705
2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 129482332
3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 129483309
(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide
CID 129344812
3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015263
(2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone
CID 129482975

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole (CID 129484503) is 3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole is CN1CCN(CCc2ccnn2C)C[C@H]1c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole?
The InChIKey is NPRBIGJDZYODMG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N6O/c1-20-9-10-22(8-6-13-5-7-17-21(13)2)11-14(20)16-18-15(19-23-16)12-3-4-12/h5,7,12,14H,3-4,6,8-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole has a molecular weight of 316.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 129484503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).