2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide

C18H15ClF2N4O5S — CID 87273457

IUPAC2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(Oc2cccc(Cl)n2)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C18H15ClF2N4O5S/c1-9(10-6-11(20)16(12(21)7-10)25-31(2,27)28)22-17(26)13-8-29-18(23-13)30-15-5-3-4-14(19)24-15/h3-9,25H,1-2H3,(H,22,26)
InChIKeyIMTGWALZQMGZPC-UHFFFAOYSA-N
MW472.86 g/mol
LogP3.66
Rot. Bonds7

About 2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide

2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 87273457) has the molecular formula C18H15ClF2N4O5S and a molecular weight of 472.86 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
PubChem CID87273457
Molecular FormulaC18H15ClF2N4O5S
Molecular Weight472.86 g/mol
Exact Mass472.04
IUPAC Name2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(Oc2cccc(Cl)n2)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C18H15ClF2N4O5S/c1-9(10-6-11(20)16(12(21)7-10)25-31(2,27)28)22-17(26)13-8-29-18(23-13)30-15-5-3-4-14(19)24-15/h3-9,25H,1-2H3,(H,22,26)
InChIKeyIMTGWALZQMGZPC-UHFFFAOYSA-N
XLogP3.66
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.86
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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-(methanesulfonamido)phenyl]ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 67111279
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-naphthalen-1-yl-1,3-oxazole-4-carboxamide
CID 67237818
2-(2-butoxyphenyl)-N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 70924562
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-nitrophenoxy)-1,3-oxazole-4-carboxamide
CID 58319260
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]-1,3-oxazole-4-carboxamide
CID 58319177
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide
CID 58319196
2-(3-bromo-5-cyclopropylphenyl)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 67238408
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 90863373

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide (CID 87273457) is 2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide is CC(NC(=O)c1coc(Oc2cccc(Cl)n2)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of 2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is IMTGWALZQMGZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4O5S/c1-9(10-6-11(20)16(12(21)7-10)25-31(2,27)28)22-17(26)13-8-29-18(23-13)30-15-5-3-4-14(19)24-15/h3-9,25H,1-2H3,(H,22,26).
What are the key properties of 2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide?
2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 472.86 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 87273457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).