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

C18H20F3N3O3S — CID 25162071

IUPAC2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H20F3N3O3S/c1-11-13(12(2)27-23-11)9-28-10-17(26)24(3)8-16(25)22-15-7-5-4-6-14(15)18(19,20)21/h4-7H,8-10H2,1-3H3,(H,22,25)
InChIKeyFYUUDNTUUMBFQM-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.64
Rot. Bonds7

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

2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 25162071) has the molecular formula C18H20F3N3O3S and a molecular weight of 415.44 g/mol. Its IUPAC name is 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID25162071
Molecular FormulaC18H20F3N3O3S
Molecular Weight415.44 g/mol
Exact Mass415.12
IUPAC Name2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H20F3N3O3S/c1-11-13(12(2)27-23-11)9-28-10-17(26)24(3)8-16(25)22-15-7-5-4-6-14(15)18(19,20)21/h4-7H,8-10H2,1-3H3,(H,22,25)
InChIKeyFYUUDNTUUMBFQM-UHFFFAOYSA-N
XLogP3.64
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 25162071) is 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1noc(C)c1CSCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FYUUDNTUUMBFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3S/c1-11-13(12(2)27-23-11)9-28-10-17(26)24(3)8-16(25)22-15-7-5-4-6-14(15)18(19,20)21/h4-7H,8-10H2,1-3H3,(H,22,25).
What are the key properties of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 415.44 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25162071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).