N-(5,6-difluoro-1H-indol-3-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

C18H9F4N3O2 — CID 162444689

IUPACN-(5,6-difluoro-1H-indol-3-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C18H9F4N3O2/c19-8-1-2-9(11(20)3-8)17-6-15(25-27-17)18(26)24-16-7-23-14-5-13(22)12(21)4-10(14)16/h1-7,23H,(H,24,26)
InChIKeyWYKGFDRAJNQWAS-UHFFFAOYSA-N
MW375.28 g/mol
LogP4.63
Rot. Bonds3

About N-(5,6-difluoro-1H-indol-3-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

N-(5,6-difluoro-1H-indol-3-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 162444689) has the molecular formula C18H9F4N3O2 and a molecular weight of 375.28 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID162444689
Molecular FormulaC18H9F4N3O2
Molecular Weight375.28 g/mol
Exact Mass375.06
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C18H9F4N3O2/c19-8-1-2-9(11(20)3-8)17-6-15(25-27-17)18(26)24-16-7-23-14-5-13(22)12(21)4-10(14)16/h1-7,23H,(H,24,26)
InChIKeyWYKGFDRAJNQWAS-UHFFFAOYSA-N
XLogP4.63
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (CID 162444689) is N-(5,6-difluoro-1H-indol-3-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cc(-c2ccc(F)cc2F)on1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WYKGFDRAJNQWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F4N3O2/c19-8-1-2-9(11(20)3-8)17-6-15(25-27-17)18(26)24-16-7-23-14-5-13(22)12(21)4-10(14)16/h1-7,23H,(H,24,26).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
N-(5,6-difluoro-1H-indol-3-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 375.28 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162444689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).