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

C20H24F3N3O2S — CID 24980939

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1
InChIInChI=1S/C20H24F3N3O2S/c1-13-16(14(2)28-25-13)11-29-12-19(27)24-17-10-15(20(21,22)23)6-7-18(17)26-8-4-3-5-9-26/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,24,27)
InChIKeyLICTUUJJYNXMHZ-UHFFFAOYSA-N
MW427.49 g/mol
LogP5.17
Rot. Bonds6

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 24980939) has the molecular formula C20H24F3N3O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID24980939
Molecular FormulaC20H24F3N3O2S
Molecular Weight427.49 g/mol
Exact Mass427.15
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1
InChIInChI=1S/C20H24F3N3O2S/c1-13-16(14(2)28-25-13)11-29-12-19(27)24-17-10-15(20(21,22)23)6-7-18(17)26-8-4-3-5-9-26/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,24,27)
InChIKeyLICTUUJJYNXMHZ-UHFFFAOYSA-N
XLogP5.17
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide 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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 2119845
N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 8897727
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 25163211
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 4783682
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7740565
2-({2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)-N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 25163360
2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 2537506
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
2-(((3-methyl-1,2-oxazol-5-yl)methyl)sulfanyl)-N-(2-((2-nitro-4-(trifluoromethyl)phenyl)amino)ethyl)benzamide
CID 40135492
5-methyl-N-[2-morpholino-5-(trifluoromethyl)phenyl]-3-isoxazolecarboxamide
CID 2810764
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 4795218
N-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide
CID 24979760

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (CID 24980939) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is Cc1noc(C)c1CSCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LICTUUJJYNXMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2S/c1-13-16(14(2)28-25-13)11-29-12-19(27)24-17-10-15(20(21,22)23)6-7-18(17)26-8-4-3-5-9-26/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,24,27).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 427.49 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24980939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).