2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

C18H12BrF3N2O2S — CID 50775606

IUPAC2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ncc(-c2cccc(Br)c2)o1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12BrF3N2O2S/c19-13-5-1-3-11(7-13)15-9-23-17(26-15)27-10-16(25)24-14-6-2-4-12(8-14)18(20,21)22/h1-9H,10H2,(H,24,25)
InChIKeySLQGNRUKUQHYJD-UHFFFAOYSA-N
MW457.27 g/mol
LogP5.85
Rot. Bonds5

About 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 50775606) has the molecular formula C18H12BrF3N2O2S and a molecular weight of 457.27 g/mol. Its IUPAC name is 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID50775606
Molecular FormulaC18H12BrF3N2O2S
Molecular Weight457.27 g/mol
Exact Mass455.98
IUPAC Name2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ncc(-c2cccc(Br)c2)o1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12BrF3N2O2S/c19-13-5-1-3-11(7-13)15-9-23-17(26-15)27-10-16(25)24-14-6-2-4-12(8-14)18(20,21)22/h1-9H,10H2,(H,24,25)
InChIKeySLQGNRUKUQHYJD-UHFFFAOYSA-N
XLogP5.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.27
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 50775533
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773556
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-cyclohexylacetamide
CID 50775705
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 50742963
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1115849
N-(3-acetylphenyl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773664
2-[(5-pyridin-4-yl-1H-imidazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 10384977
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-4-ylacetamide
CID 4267462
2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1134821
N-(3,4-dimethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773608
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21232399
N-(3-bromophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 15989788

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 50775606) is 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CSc1ncc(-c2cccc(Br)c2)o1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SLQGNRUKUQHYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF3N2O2S/c19-13-5-1-3-11(7-13)15-9-23-17(26-15)27-10-16(25)24-14-6-2-4-12(8-14)18(20,21)22/h1-9H,10H2,(H,24,25).
What are the key properties of 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 457.27 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 50775606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).