3-[1-[5-(2,6-difluoroanilino)-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide

C20H15F5N6O2 — CID 90011507

IUPAC3-[1-[5-(2,6-difluoroanilino)-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(N)=O)CC(c2cc(C(F)(F)F)n(-c3ccc(Nc4c(F)cccc4F)cn3)n2)=NO1
InChIInChI=1S/C20H15F5N6O2/c1-19(18(26)32)8-14(30-33-19)13-7-15(20(23,24)25)31(29-13)16-6-5-10(9-27-16)28-17-11(21)3-2-4-12(17)22/h2-7,9,28H,8H2,1H3,(H2,26,32)
InChIKeyUBBRNHZIWXKUQX-UHFFFAOYSA-N
MW466.37 g/mol
LogP3.68
Rot. Bonds5

About 3-[1-[5-(2,6-difluoroanilino)-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide

3-[1-[5-(2,6-difluoroanilino)-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 90011507) has the molecular formula C20H15F5N6O2 and a molecular weight of 466.37 g/mol. Its IUPAC name is 3-[1-[5-(2,6-difluoroanilino)-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-[5-(2,6-difluoroanilino)-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID90011507
Molecular FormulaC20H15F5N6O2
Molecular Weight466.37 g/mol
Exact Mass466.12
IUPAC Name3-[1-[5-(2,6-difluoroanilino)-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(N)=O)CC(c2cc(C(F)(F)F)n(-c3ccc(Nc4c(F)cccc4F)cn3)n2)=NO1
InChIInChI=1S/C20H15F5N6O2/c1-19(18(26)32)8-14(30-33-19)13-7-15(20(23,24)25)31(29-13)16-6-5-10(9-27-16)28-17-11(21)3-2-4-12(17)22/h2-7,9,28H,8H2,1H3,(H2,26,32)
InChIKeyUBBRNHZIWXKUQX-UHFFFAOYSA-N
XLogP3.68
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(2,6-difluoroanilino)-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[1-[5-(2,6-difluoroanilino)-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 90011507) is 3-[1-[5-(2,6-difluoroanilino)-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[1-[5-(2,6-difluoroanilino)-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[1-[5-(2,6-difluoroanilino)-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide is CC1(C(N)=O)CC(c2cc(C(F)(F)F)n(-c3ccc(Nc4c(F)cccc4F)cn3)n2)=NO1.
What is the InChIKey of 3-[1-[5-(2,6-difluoroanilino)-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is UBBRNHZIWXKUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N6O2/c1-19(18(26)32)8-14(30-33-19)13-7-15(20(23,24)25)31(29-13)16-6-5-10(9-27-16)28-17-11(21)3-2-4-12(17)22/h2-7,9,28H,8H2,1H3,(H2,26,32).
What are the key properties of 3-[1-[5-(2,6-difluoroanilino)-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
3-[1-[5-(2,6-difluoroanilino)-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 466.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(2,6-difluoroanilino)-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90011507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).