N-cyclohexyl-3-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride

C23H33ClFN5O4S — CID 146052925

IUPACN-cyclohexyl-3-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
SMILESCN(C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)no1)C1CCCCC1.Cl
InChIInChI=1S/C23H32FN5O4S.ClH/c1-27(19-5-3-2-4-6-19)23(30)12-11-22-25-21(26-33-22)17-28-13-15-29(16-14-28)34(31,32)20-9-7-18(24)8-10-20;/h7-10,19H,2-6,11-17H2,1H3;1H
InChIKeyCBRKREVGQKCXCE-UHFFFAOYSA-N
MW530.07 g/mol
LogP2.86
Rot. Bonds8

About N-cyclohexyl-3-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride

N-cyclohexyl-3-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride (PubChem CID 146052925) has the molecular formula C23H33ClFN5O4S and a molecular weight of 530.07 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
PubChem CID146052925
Molecular FormulaC23H33ClFN5O4S
Molecular Weight530.07 g/mol
Exact Mass529.19
IUPAC NameN-cyclohexyl-3-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
SMILESCN(C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)no1)C1CCCCC1.Cl
InChIInChI=1S/C23H32FN5O4S.ClH/c1-27(19-5-3-2-4-6-19)23(30)12-11-22-25-21(26-33-22)17-28-13-15-29(16-14-28)34(31,32)20-9-7-18(24)8-10-20;/h7-10,19H,2-6,11-17H2,1H3;1H
InChIKeyCBRKREVGQKCXCE-UHFFFAOYSA-N
XLogP2.86
TPSA99.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.07
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-3-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride 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

3-[3-[[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide
CID 46278416
3-[3-[(4-butanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide
CID 46278442
3-[3-[[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide
CID 20918477
1-(azepan-1-yl)-3-[3-[[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 146052968
3-[3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 46278419
N-benzyl-3-[3-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide
CID 46278404
1-(azepan-1-yl)-3-[3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 146053061
N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 119442142
N-cyclohexyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51308184
N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 60558334
N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119551317
5-(3-chlorophenyl)-3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 42692236

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride?
The IUPAC name of N-cyclohexyl-3-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride (CID 146052925) is N-cyclohexyl-3-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-3-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-3-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride is CN(C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)no1)C1CCCCC1.Cl.
What is the InChIKey of N-cyclohexyl-3-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride?
The InChIKey is CBRKREVGQKCXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN5O4S.ClH/c1-27(19-5-3-2-4-6-19)23(30)12-11-22-25-21(26-33-22)17-28-13-15-29(16-14-28)34(31,32)20-9-7-18(24)8-10-20;/h7-10,19H,2-6,11-17H2,1H3;1H.
What are the key properties of N-cyclohexyl-3-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride?
N-cyclohexyl-3-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride has a molecular weight of 530.07 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 146052925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).