bis(N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide);bis(5-(furan-2-yl)-N-[1-[1-(2,4,6-trifluorophenyl)ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide)

C76H54F10N16O10S2 — CID 167603080

IUPACbis(N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide);bis(5-(furan-2-yl)-N-[1-[1-(2,4,6-trifluorophenyl)ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide)
SMILESCC(c1c(F)cc(F)cc1F)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.CC(c1c(F)cc(F)cc1F)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.CC(c1c(F)cccc1F)n1cc(NC(=O)c2cc(-c3cccs3)on2)cn1.CC(c1c(F)cccc1F)n1cc(NC(=O)c2cc(-c3cccs3)on2)cn1
InChIInChI=1S/2C19H13F3N4O3.2C19H14F2N4O2S/c2*1-10(18-13(21)5-11(20)6-14(18)22)26-9-12(8-23-26)24-19(27)15-7-17(29-25-15)16-3-2-4-28-16;2*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/h2*2-10H,1H3,(H,24,27);2*2-11H,1H3,(H,23,26)
InChIKeyJZPYKNRMQUNBHH-UHFFFAOYSA-N
MW1605.48 g/mol
LogP18.30
Rot. Bonds20

About bis(N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide);bis(5-(furan-2-yl)-N-[1-[1-(2,4,6-trifluorophenyl)ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide)

bis(N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide);bis(5-(furan-2-yl)-N-[1-[1-(2,4,6-trifluorophenyl)ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide) (PubChem CID 167603080) has the molecular formula C76H54F10N16O10S2 and a molecular weight of 1605.48 g/mol. Its IUPAC name is bis(N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide);bis(5-(furan-2-yl)-N-[1-[1-(2,4,6-trifluorophenyl)ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide).

Molecular Properties

Compound Namebis(N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide);bis(5-(furan-2-yl)-N-[1-[1-(2,4,6-trifluorophenyl)ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide)
PubChem CID167603080
Molecular FormulaC76H54F10N16O10S2
Molecular Weight1605.48 g/mol
Exact Mass1604.35
IUPAC Namebis(N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide);bis(5-(furan-2-yl)-N-[1-[1-(2,4,6-trifluorophenyl)ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide)
SMILESCC(c1c(F)cc(F)cc1F)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.CC(c1c(F)cc(F)cc1F)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.CC(c1c(F)cccc1F)n1cc(NC(=O)c2cc(-c3cccs3)on2)cn1.CC(c1c(F)cccc1F)n1cc(NC(=O)c2cc(-c3cccs3)on2)cn1
InChIInChI=1S/2C19H13F3N4O3.2C19H14F2N4O2S/c2*1-10(18-13(21)5-11(20)6-14(18)22)26-9-12(8-23-26)24-19(27)15-7-17(29-25-15)16-3-2-4-28-16;2*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/h2*2-10H,1H3,(H,24,27);2*2-11H,1H3,(H,23,26)
InChIKeyJZPYKNRMQUNBHH-UHFFFAOYSA-N
XLogP18.30
TPSA318.08 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001605.48
LogP ≤ 518.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze bis(N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide);bis(5-(furan-2-yl)-N-[1-[1-(2,4,6-trifluorophenyl)ethyl]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-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide);bis(5-(furan-2-yl)-N-[1-[1-(2,4,6-trifluorophenyl)ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide)?
The IUPAC name of bis(N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide);bis(5-(furan-2-yl)-N-[1-[1-(2,4,6-trifluorophenyl)ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide) (CID 167603080) is bis(N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide);bis(5-(furan-2-yl)-N-[1-[1-(2,4,6-trifluorophenyl)ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide).
What is the SMILES notation for bis(N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide);bis(5-(furan-2-yl)-N-[1-[1-(2,4,6-trifluorophenyl)ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide)?
The canonical SMILES for bis(N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide);bis(5-(furan-2-yl)-N-[1-[1-(2,4,6-trifluorophenyl)ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide) is CC(c1c(F)cc(F)cc1F)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.CC(c1c(F)cc(F)cc1F)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.CC(c1c(F)cccc1F)n1cc(NC(=O)c2cc(-c3cccs3)on2)cn1.CC(c1c(F)cccc1F)n1cc(NC(=O)c2cc(-c3cccs3)on2)cn1.
What is the InChIKey of bis(N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide);bis(5-(furan-2-yl)-N-[1-[1-(2,4,6-trifluorophenyl)ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide)?
The InChIKey is JZPYKNRMQUNBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H13F3N4O3.2C19H14F2N4O2S/c2*1-10(18-13(21)5-11(20)6-14(18)22)26-9-12(8-23-26)24-19(27)15-7-17(29-25-15)16-3-2-4-28-16;2*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/h2*2-10H,1H3,(H,24,27);2*2-11H,1H3,(H,23,26).
What are the key properties of bis(N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide);bis(5-(furan-2-yl)-N-[1-[1-(2,4,6-trifluorophenyl)ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide)?
bis(N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide);bis(5-(furan-2-yl)-N-[1-[1-(2,4,6-trifluorophenyl)ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide) has a molecular weight of 1605.48 g/mol, XLogP of 18.30, 20 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide);bis(5-(furan-2-yl)-N-[1-[1-(2,4,6-trifluorophenyl)ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide) is sourced from PubChem (CID 167603080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).