(2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol

C19H28N4O2 — CID 95299369

IUPAC(2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol
SMILESCCc1noc([C@H](C)N2CCN(C[C@@](C)(O)c3ccccc3)CC2)n1
InChIInChI=1S/C19H28N4O2/c1-4-17-20-18(25-21-17)15(2)23-12-10-22(11-13-23)14-19(3,24)16-8-6-5-7-9-16/h5-9,15,24H,4,10-14H2,1-3H3/t15-,19+/m0/s1
InChIKeyHPIDFFVTKYKTET-HNAYVOBHSA-N
MW344.46 g/mol
LogP2.22
Rot. Bonds6

About (2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol

(2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol (PubChem CID 95299369) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol
PubChem CID95299369
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol
SMILESCCc1noc([C@H](C)N2CCN(C[C@@](C)(O)c3ccccc3)CC2)n1
InChIInChI=1S/C19H28N4O2/c1-4-17-20-18(25-21-17)15(2)23-12-10-22(11-13-23)14-19(3,24)16-8-6-5-7-9-16/h5-9,15,24H,4,10-14H2,1-3H3/t15-,19+/m0/s1
InChIKeyHPIDFFVTKYKTET-HNAYVOBHSA-N
XLogP2.22
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol?
The IUPAC name of (2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol (CID 95299369) is (2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol.
What is the SMILES notation for (2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol?
The canonical SMILES for (2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol is CCc1noc([C@H](C)N2CCN(C[C@@](C)(O)c3ccccc3)CC2)n1.
What is the InChIKey of (2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol?
The InChIKey is HPIDFFVTKYKTET-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-17-20-18(25-21-17)15(2)23-12-10-22(11-13-23)14-19(3,24)16-8-6-5-7-9-16/h5-9,15,24H,4,10-14H2,1-3H3/t15-,19+/m0/s1.
What are the key properties of (2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol?
(2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol has a molecular weight of 344.46 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol is sourced from PubChem (CID 95299369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).