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

C23H19F2N3O4S — CID 67237818

IUPACN-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-naphthalen-1-yl-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(-c2cccc3ccccc23)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C23H19F2N3O4S/c1-13(15-10-18(24)21(19(25)11-15)28-33(2,30)31)26-22(29)20-12-32-23(27-20)17-9-5-7-14-6-3-4-8-16(14)17/h3-13,28H,1-2H3,(H,26,29)
InChIKeyVXYWWIFPRADAJK-UHFFFAOYSA-N
MW471.49 g/mol
LogP4.64
Rot. Bonds6

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

N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-naphthalen-1-yl-1,3-oxazole-4-carboxamide (PubChem CID 67237818) has the molecular formula C23H19F2N3O4S and a molecular weight of 471.49 g/mol. Its IUPAC name is N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-naphthalen-1-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-naphthalen-1-yl-1,3-oxazole-4-carboxamide
PubChem CID67237818
Molecular FormulaC23H19F2N3O4S
Molecular Weight471.49 g/mol
Exact Mass471.11
IUPAC NameN-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-naphthalen-1-yl-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(-c2cccc3ccccc23)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C23H19F2N3O4S/c1-13(15-10-18(24)21(19(25)11-15)28-33(2,30)31)26-22(29)20-12-32-23(27-20)17-9-5-7-14-6-3-4-8-16(14)17/h3-13,28H,1-2H3,(H,26,29)
InChIKeyVXYWWIFPRADAJK-UHFFFAOYSA-N
XLogP4.64
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-butoxyphenyl)-N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 70924562
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide
CID 67239219
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 67111279
2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 87273457
2-(3-bromo-5-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 67238408
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]-1,3-oxazole-4-carboxamide
CID 44602936
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(1,1,1-trifluoropropan-2-yl)phenoxy]-1,3-oxazole-4-carboxamide
CID 67111314
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-nitrophenoxy)-1,3-oxazole-4-carboxamide
CID 67238143
N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 76759521
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide
CID 58319266
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 58319204
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-propan-2-ylquinoline-6-carboxamide
CID 74387260

Frequently Asked Questions

What is the IUPAC name of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-naphthalen-1-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-naphthalen-1-yl-1,3-oxazole-4-carboxamide (CID 67237818) is N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-naphthalen-1-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-naphthalen-1-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-naphthalen-1-yl-1,3-oxazole-4-carboxamide is CC(NC(=O)c1coc(-c2cccc3ccccc23)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-naphthalen-1-yl-1,3-oxazole-4-carboxamide?
The InChIKey is VXYWWIFPRADAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O4S/c1-13(15-10-18(24)21(19(25)11-15)28-33(2,30)31)26-22(29)20-12-32-23(27-20)17-9-5-7-14-6-3-4-8-16(14)17/h3-13,28H,1-2H3,(H,26,29).
What are the key properties of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-naphthalen-1-yl-1,3-oxazole-4-carboxamide?
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-naphthalen-1-yl-1,3-oxazole-4-carboxamide has a molecular weight of 471.49 g/mol, XLogP of 4.64, 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-naphthalen-1-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 67237818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).