1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone

C17H23N5O5S — CID 75538362

IUPAC1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
SMILESCC(C)S(=O)(=O)N1CCN(C(=O)COCc2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C17H23N5O5S/c1-13(2)28(24,25)22-9-7-21(8-10-22)16(23)12-26-11-15-19-17(20-27-15)14-3-5-18-6-4-14/h3-6,13H,7-12H2,1-2H3
InChIKeyDLMFPUGHNLBUGU-UHFFFAOYSA-N
MW409.47 g/mol
LogP0.53
Rot. Bonds7

About 1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone

1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone (PubChem CID 75538362) has the molecular formula C17H23N5O5S and a molecular weight of 409.47 g/mol. Its IUPAC name is 1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone.

Molecular Properties

Compound Name1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
PubChem CID75538362
Molecular FormulaC17H23N5O5S
Molecular Weight409.47 g/mol
Exact Mass409.14
IUPAC Name1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
SMILESCC(C)S(=O)(=O)N1CCN(C(=O)COCc2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C17H23N5O5S/c1-13(2)28(24,25)22-9-7-21(8-10-22)16(23)12-26-11-15-19-17(20-27-15)14-3-5-18-6-4-14/h3-6,13H,7-12H2,1-2H3
InChIKeyDLMFPUGHNLBUGU-UHFFFAOYSA-N
XLogP0.53
TPSA118.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-piperidin-1-yl-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
CID 75538435
N,N-diethyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazine-1-sulfonamide
CID 30341389
2,2-dimethyl-1-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]propan-1-one
CID 11175343
2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 61313489
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 75538349
1-[(3R,4S)-4-hydroxy-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 157014399
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 55502619
cyclobutyl-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
CID 71687042
2-methoxy-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 86924494
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
N-[(2-fluorophenyl)methyl]-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 75538356
(4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate
CID 11464779

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone?
The IUPAC name of 1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone (CID 75538362) is 1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone.
What is the SMILES notation for 1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone?
The canonical SMILES for 1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone is CC(C)S(=O)(=O)N1CCN(C(=O)COCc2nc(-c3ccncc3)no2)CC1.
What is the InChIKey of 1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone?
The InChIKey is DLMFPUGHNLBUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O5S/c1-13(2)28(24,25)22-9-7-21(8-10-22)16(23)12-26-11-15-19-17(20-27-15)14-3-5-18-6-4-14/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone?
1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone has a molecular weight of 409.47 g/mol, XLogP of 0.53, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]ethanone is sourced from PubChem (CID 75538362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).