N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C20H16F5N3O4S — CID 44603187

IUPACN-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(-c2ccc(C(F)(F)F)cc2)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C20H16F5N3O4S/c1-10(12-7-14(21)17(15(22)8-12)28-33(2,30)31)26-18(29)16-9-32-19(27-16)11-3-5-13(6-4-11)20(23,24)25/h3-10,28H,1-2H3,(H,26,29)
InChIKeyBFSAPVPGRXKPSL-UHFFFAOYSA-N
MW489.42 g/mol
LogP4.50
Rot. Bonds6

About N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 44603187) has the molecular formula C20H16F5N3O4S and a molecular weight of 489.42 g/mol. Its IUPAC name is N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID44603187
Molecular FormulaC20H16F5N3O4S
Molecular Weight489.42 g/mol
Exact Mass489.08
IUPAC NameN-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(-c2ccc(C(F)(F)F)cc2)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C20H16F5N3O4S/c1-10(12-7-14(21)17(15(22)8-12)28-33(2,30)31)26-18(29)16-9-32-19(27-16)11-3-5-13(6-4-11)20(23,24)25/h3-10,28H,1-2H3,(H,26,29)
InChIKeyBFSAPVPGRXKPSL-UHFFFAOYSA-N
XLogP4.50
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.42
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 44603187) is N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is CC(NC(=O)c1coc(-c2ccc(C(F)(F)F)cc2)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is BFSAPVPGRXKPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F5N3O4S/c1-10(12-7-14(21)17(15(22)8-12)28-33(2,30)31)26-18(29)16-9-32-19(27-16)11-3-5-13(6-4-11)20(23,24)25/h3-10,28H,1-2H3,(H,26,29).
What are the key properties of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 489.42 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 44603187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).