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

C17H26N6O2 — CID 95312285

IUPAC(2R)-1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESC[C@@H](c1nc(C2CC2)no1)N1CCN(C[C@@H](O)Cn2cccn2)CC1
InChIInChI=1S/C17H26N6O2/c1-13(17-19-16(20-25-17)14-3-4-14)22-9-7-21(8-10-22)11-15(24)12-23-6-2-5-18-23/h2,5-6,13-15,24H,3-4,7-12H2,1H3/t13-,15+/m0/s1
InChIKeyVHVBVKTVFOLRGL-DZGCQCFKSA-N
MW346.44 g/mol
LogP0.88
Rot. Bonds7

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

(2R)-1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 95312285) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is (2R)-1-[4-[(1S)-1-(3-cyclopropyl-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-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID95312285
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name(2R)-1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESC[C@@H](c1nc(C2CC2)no1)N1CCN(C[C@@H](O)Cn2cccn2)CC1
InChIInChI=1S/C17H26N6O2/c1-13(17-19-16(20-25-17)14-3-4-14)22-9-7-21(8-10-22)11-15(24)12-23-6-2-5-18-23/h2,5-6,13-15,24H,3-4,7-12H2,1H3/t13-,15+/m0/s1
InChIKeyVHVBVKTVFOLRGL-DZGCQCFKSA-N
XLogP0.88
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(1S)-1-(3-cyclopropyl-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-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 95312285) is (2R)-1-[4-[(1S)-1-(3-cyclopropyl-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-cyclopropyl-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-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol is C[C@@H](c1nc(C2CC2)no1)N1CCN(C[C@@H](O)Cn2cccn2)CC1.
What is the InChIKey of (2R)-1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is VHVBVKTVFOLRGL-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-13(17-19-16(20-25-17)14-3-4-14)22-9-7-21(8-10-22)11-15(24)12-23-6-2-5-18-23/h2,5-6,13-15,24H,3-4,7-12H2,1H3/t13-,15+/m0/s1.
What are the key properties of (2R)-1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
(2R)-1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 346.44 g/mol, XLogP of 0.88, 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-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 95312285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).