5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C22H27N5O3S — CID 78835447

IUPAC5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(C)c3nc(-c4cccnc4)no3)CC2)cc1
InChIInChI=1S/C22H27N5O3S/c1-16(2)18-6-8-20(9-7-18)31(28,29)27-13-11-26(12-14-27)17(3)22-24-21(25-30-22)19-5-4-10-23-15-19/h4-10,15-17H,11-14H2,1-3H3
InChIKeySQCQKSKXROTPAF-UHFFFAOYSA-N
MW441.56 g/mol
LogP3.32
Rot. Bonds6

About 5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 78835447) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is 5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID78835447
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC Name5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(C)c3nc(-c4cccnc4)no3)CC2)cc1
InChIInChI=1S/C22H27N5O3S/c1-16(2)18-6-8-20(9-7-18)31(28,29)27-13-11-26(12-14-27)17(3)22-24-21(25-30-22)19-5-4-10-23-15-19/h4-10,15-17H,11-14H2,1-3H3
InChIKeySQCQKSKXROTPAF-UHFFFAOYSA-N
XLogP3.32
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(4-fluoro-3-methylphenyl)-5-[1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 78896836
1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 78833873
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 55477935
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55622728
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
3-methyl-5-[1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 42947950
5-[1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 42938576
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
5-[1-[3-(oxan-4-yl)azepan-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 167851588
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55623124
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 55488125
(3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 120761263

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 78835447) is 5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole is CC(C)c1ccc(S(=O)(=O)N2CCN(C(C)c3nc(-c4cccnc4)no3)CC2)cc1.
What is the InChIKey of 5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is SQCQKSKXROTPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-16(2)18-6-8-20(9-7-18)31(28,29)27-13-11-26(12-14-27)17(3)22-24-21(25-30-22)19-5-4-10-23-15-19/h4-10,15-17H,11-14H2,1-3H3.
What are the key properties of 5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 441.56 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 78835447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).