(2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol

C17H28N6O2 — CID 95309892

IUPAC(2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCC(C)c1noc([C@H](C)N2CCN(C[C@@H](O)Cn3cccn3)CC2)n1
InChIInChI=1S/C17H28N6O2/c1-13(2)16-19-17(25-20-16)14(3)22-9-7-21(8-10-22)11-15(24)12-23-6-4-5-18-23/h4-6,13-15,24H,7-12H2,1-3H3/t14-,15+/m0/s1
InChIKeyOXCXONKWCBMCKP-LSDHHAIUSA-N
MW348.45 g/mol
LogP1.13
Rot. Bonds7

About (2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol

(2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 95309892) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID95309892
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name(2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCC(C)c1noc([C@H](C)N2CCN(C[C@@H](O)Cn3cccn3)CC2)n1
InChIInChI=1S/C17H28N6O2/c1-13(2)16-19-17(25-20-16)14(3)22-9-7-21(8-10-22)11-15(24)12-23-6-4-5-18-23/h4-6,13-15,24H,7-12H2,1-3H3/t14-,15+/m0/s1
InChIKeyOXCXONKWCBMCKP-LSDHHAIUSA-N
XLogP1.13
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol with MolForge

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Related Compounds

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(2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
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5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole
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4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 95309892) is (2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol is CC(C)c1noc([C@H](C)N2CCN(C[C@@H](O)Cn3cccn3)CC2)n1.
What is the InChIKey of (2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is OXCXONKWCBMCKP-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-13(2)16-19-17(25-20-16)14(3)22-9-7-21(8-10-22)11-15(24)12-23-6-4-5-18-23/h4-6,13-15,24H,7-12H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of (2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
(2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 348.45 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 95309892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).