bis(N-[1-[1-(2-chloro-6-fluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;bis(N-[1-[1-(2,4-difluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);5-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide

C116H85Cl4F9N26O16S — CID 167703418

IUPACbis(N-[1-[1-(2-chloro-6-fluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;bis(N-[1-[1-(2,4-difluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);5-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCC(c1c(Cl)cccc1Cl)n1cc(NC(=O)c2cc(-c3cccs3)on2)cn1.CC(c1c(F)cccc1Cl)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.CC(c1c(F)cccc1Cl)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.CC(c1ccc(F)cc1F)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.CC(c1ccc(F)cc1F)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.O=C(Nc1cnn(C2CCc3cc(C(F)(F)F)ccc32)c1)c1cc(-c2cnccn2)on1
InChIInChI=1S/C21H15F3N6O2.C19H14Cl2N4O2S.2C19H14ClFN4O3.2C19H14F2N4O3/c22-21(23,24)13-2-3-15-12(7-13)1-4-18(15)30-11-14(9-27-30)28-20(31)16-8-19(32-29-16)17-10-25-5-6-26-17;1-11(18-13(20)4-2-5-14(18)21)25-10-12(9-22-25)23-19(26)15-8-16(27-24-15)17-6-3-7-28-17;2*1-11(18-13(20)4-2-5-14(18)21)25-10-12(9-22-25)23-19(26)15-8-17(28-24-15)16-6-3-7-27-16;2*1-11(14-5-4-12(20)7-15(14)21)25-10-13(9-22-25)23-19(26)16-8-18(28-24-16)17-3-2-6-27-17/h2-3,5-11,18H,1,4H2,(H,28,31);5*2-11H,1H3,(H,23,26)
InChIKeyYSUGGUIXXYQYKX-UHFFFAOYSA-N
MW2443.98 g/mol
LogP28.01
Rot. Bonds29

About bis(N-[1-[1-(2-chloro-6-fluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;bis(N-[1-[1-(2,4-difluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);5-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide

bis(N-[1-[1-(2-chloro-6-fluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;bis(N-[1-[1-(2,4-difluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);5-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 167703418) has the molecular formula C116H85Cl4F9N26O16S and a molecular weight of 2443.98 g/mol. Its IUPAC name is bis(N-[1-[1-(2-chloro-6-fluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;bis(N-[1-[1-(2,4-difluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);5-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Namebis(N-[1-[1-(2-chloro-6-fluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;bis(N-[1-[1-(2,4-difluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);5-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID167703418
Molecular FormulaC116H85Cl4F9N26O16S
Molecular Weight2443.98 g/mol
Exact Mass2440.50
IUPAC Namebis(N-[1-[1-(2-chloro-6-fluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;bis(N-[1-[1-(2,4-difluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);5-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCC(c1c(Cl)cccc1Cl)n1cc(NC(=O)c2cc(-c3cccs3)on2)cn1.CC(c1c(F)cccc1Cl)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.CC(c1c(F)cccc1Cl)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.CC(c1ccc(F)cc1F)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.CC(c1ccc(F)cc1F)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.O=C(Nc1cnn(C2CCc3cc(C(F)(F)F)ccc32)c1)c1cc(-c2cnccn2)on1
InChIInChI=1S/C21H15F3N6O2.C19H14Cl2N4O2S.2C19H14ClFN4O3.2C19H14F2N4O3/c22-21(23,24)13-2-3-15-12(7-13)1-4-18(15)30-11-14(9-27-30)28-20(31)16-8-19(32-29-16)17-10-25-5-6-26-17;1-11(18-13(20)4-2-5-14(18)21)25-10-12(9-22-25)23-19(26)15-8-16(27-24-15)17-6-3-7-28-17;2*1-11(18-13(20)4-2-5-14(18)21)25-10-12(9-22-25)23-19(26)15-8-17(28-24-15)16-6-3-7-27-16;2*1-11(14-5-4-12(20)7-15(14)21)25-10-13(9-22-25)23-19(26)16-8-18(28-24-16)17-3-2-6-27-17/h2-3,5-11,18H,1,4H2,(H,28,31);5*2-11H,1H3,(H,23,26)
InChIKeyYSUGGUIXXYQYKX-UHFFFAOYSA-N
XLogP28.01
TPSA516.04 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds29
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002443.98
LogP ≤ 528.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Analyze bis(N-[1-[1-(2-chloro-6-fluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;bis(N-[1-[1-(2,4-difluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);5-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-[1-[1-(2-chloro-6-fluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;bis(N-[1-[1-(2,4-difluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);5-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of bis(N-[1-[1-(2-chloro-6-fluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;bis(N-[1-[1-(2,4-difluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);5-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 167703418) is bis(N-[1-[1-(2-chloro-6-fluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;bis(N-[1-[1-(2,4-difluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);5-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for bis(N-[1-[1-(2-chloro-6-fluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;bis(N-[1-[1-(2,4-difluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);5-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for bis(N-[1-[1-(2-chloro-6-fluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;bis(N-[1-[1-(2,4-difluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);5-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is CC(c1c(Cl)cccc1Cl)n1cc(NC(=O)c2cc(-c3cccs3)on2)cn1.CC(c1c(F)cccc1Cl)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.CC(c1c(F)cccc1Cl)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.CC(c1ccc(F)cc1F)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.CC(c1ccc(F)cc1F)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.O=C(Nc1cnn(C2CCc3cc(C(F)(F)F)ccc32)c1)c1cc(-c2cnccn2)on1.
What is the InChIKey of bis(N-[1-[1-(2-chloro-6-fluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;bis(N-[1-[1-(2,4-difluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);5-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is YSUGGUIXXYQYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O2.C19H14Cl2N4O2S.2C19H14ClFN4O3.2C19H14F2N4O3/c22-21(23,24)13-2-3-15-12(7-13)1-4-18(15)30-11-14(9-27-30)28-20(31)16-8-19(32-29-16)17-10-25-5-6-26-17;1-11(18-13(20)4-2-5-14(18)21)25-10-12(9-22-25)23-19(26)15-8-16(27-24-15)17-6-3-7-28-17;2*1-11(18-13(20)4-2-5-14(18)21)25-10-12(9-22-25)23-19(26)15-8-17(28-24-15)16-6-3-7-27-16;2*1-11(14-5-4-12(20)7-15(14)21)25-10-13(9-22-25)23-19(26)16-8-18(28-24-16)17-3-2-6-27-17/h2-3,5-11,18H,1,4H2,(H,28,31);5*2-11H,1H3,(H,23,26).
What are the key properties of bis(N-[1-[1-(2-chloro-6-fluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;bis(N-[1-[1-(2,4-difluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);5-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
bis(N-[1-[1-(2-chloro-6-fluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;bis(N-[1-[1-(2,4-difluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);5-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 2443.98 g/mol, XLogP of 28.01, 29 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[1-[1-(2-chloro-6-fluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;bis(N-[1-[1-(2,4-difluorophenyl)ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide);5-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167703418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).