N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide

C19H24ClN3O2S — CID 8897727

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C19H24ClN3O2S/c1-13-16(14(2)25-22-13)11-26-12-19(24)21-17-10-15(20)6-7-18(17)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,21,24)
InChIKeyKYXSKURMRIMYFM-UHFFFAOYSA-N
MW393.94 g/mol
LogP4.81
Rot. Bonds6

About N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide

N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 8897727) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID8897727
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C19H24ClN3O2S/c1-13-16(14(2)25-22-13)11-26-12-19(24)21-17-10-15(20)6-7-18(17)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,21,24)
InChIKeyKYXSKURMRIMYFM-UHFFFAOYSA-N
XLogP4.81
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4800687
N-(2-chlorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]acetamide
CID 24819666
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24979285
2-(((3,5-Dimethylisoxazol-4-yl)methyl)thio)-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)acetamide
CID 24980939
N-(5-chloro-2-methylphenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide
CID 24982537
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 25163211
N-(3-chloro-4-cyanophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 8024479
1-[(2S,6R)-2,6-dimethyl-4-(2-methylphenyl)piperazin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanone
CID 117976829
(4-(3-Chlorophenyl)piperazino)(3,5-dimethyl-4-isoxazolyl)methanone
CID 3759803
Methanone, [4-(3-chlorophenyl)-1-piperazinyl](3-ethyl-5-methyl-4-isoxazolyl)-
CID 17191313
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18081333
2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 2533624

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide (CID 8897727) is N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is Cc1noc(C)c1CSCC(=O)Nc1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is KYXSKURMRIMYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-13-16(14(2)25-22-13)11-26-12-19(24)21-17-10-15(20)6-7-18(17)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 393.94 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 8897727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).