bis(N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyrazin-2-yl-1,2-oxazole-5-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;bis(2-[1-[1-(2,6-dichlorophenyl)ethyl]-3-methylpyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone)

C104H78Cl6F12N22O13 — CID 167688354

About bis(N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyrazin-2-yl-1,2-oxazole-5-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;bis(2-[1-[1-(2,6-dichlorophenyl)ethyl]-3-methylpyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone)

bis(N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyrazin-2-yl-1,2-oxazole-5-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;bis(2-[1-[1-(2,6-dichlorophenyl)ethyl]-3-methylpyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone) (PubChem CID 167688354) has the molecular formula C104H78Cl6F12N22O13 and a molecular weight of 2284.60 g/mol. Its IUPAC name is bis(N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyrazin-2-yl-1,2-oxazole-5-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;bis(2-[1-[1-(2,6-dichlorophenyl)ethyl]-3-methylpyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone).

Molecular Properties

• Compound Name: bis(N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyrazin-2-yl-1,2-oxazole-5-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;bis(2-[1-[1-(2,6-dichlorophenyl)ethyl]-3-methylpyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone)
• PubChem CID: 167688354
• Molecular Formula: C104H78Cl6F12N22O13
• Molecular Weight: 2284.60 g/mol
• Exact Mass: 2280.41
• IUPAC Name: bis(N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyrazin-2-yl-1,2-oxazole-5-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;bis(2-[1-[1-(2,6-dichlorophenyl)ethyl]-3-methylpyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone)
• SMILES: CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3cnccn3)no2)cn1.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3cnccn3)no2)cn1.Cc1c(NC(=O)c2cc(-c3ccco3)on2)cnn1C(C)c1c(Cl)cccc1Cl.Cc1nn(C(C)c2c(Cl)cccc2Cl)cc1CC(=O)c1cc(-c2ccco2)on1.Cc1nn(C(C)c2c(Cl)cccc2Cl)cc1CC(=O)c1cc(-c2ccco2)on1
• InChI: InChI=1S/2C21H17Cl2N3O3.2C21H14F6N6O2.C20H16Cl2N4O3/c2*1-12-14(9-18(27)17-10-20(29-25-17)19-7-4-8-28-19)11-26(24-12)13(2)21-15(22)5-3-6-16(21)23;2*1-11(14-3-2-12(20(22,23)24)6-15(14)21(25,26)27)33-10-13(8-30-33)31-19(34)18-7-16(32-35-18)17-9-28-4-5-29-17;1-11-16(10-23-26(11)12(2)19-13(21)5-3-6-14(19)22)24-20(27)15-9-18(29-25-15)17-7-4-8-28-17/h2*3-8,10-11,13H,9H2,1-2H3;2*2-11H,1H3,(H,31,34);3-10,12H,1-2H3,(H,24,27)
• InChIKey: WNZZRYGFCWPARA-UHFFFAOYSA-N
• XLogP: 27.62
• TPSA: 431.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2284.60
LogP ≤ 5	27.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of bis(N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyrazin-2-yl-1,2-oxazole-5-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;bis(2-[1-[1-(2,6-dichlorophenyl)ethyl]-3-methylpyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone)?

The IUPAC name of bis(N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyrazin-2-yl-1,2-oxazole-5-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;bis(2-[1-[1-(2,6-dichlorophenyl)ethyl]-3-methylpyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone) (CID 167688354) is bis(N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyrazin-2-yl-1,2-oxazole-5-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;bis(2-[1-[1-(2,6-dichlorophenyl)ethyl]-3-methylpyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone).

What is the SMILES notation for bis(N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyrazin-2-yl-1,2-oxazole-5-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;bis(2-[1-[1-(2,6-dichlorophenyl)ethyl]-3-methylpyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone)?

The canonical SMILES for bis(N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyrazin-2-yl-1,2-oxazole-5-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;bis(2-[1-[1-(2,6-dichlorophenyl)ethyl]-3-methylpyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone) is CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3cnccn3)no2)cn1.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3cnccn3)no2)cn1.Cc1c(NC(=O)c2cc(-c3ccco3)on2)cnn1C(C)c1c(Cl)cccc1Cl.Cc1nn(C(C)c2c(Cl)cccc2Cl)cc1CC(=O)c1cc(-c2ccco2)on1.Cc1nn(C(C)c2c(Cl)cccc2Cl)cc1CC(=O)c1cc(-c2ccco2)on1.

What is the InChIKey of bis(N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyrazin-2-yl-1,2-oxazole-5-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;bis(2-[1-[1-(2,6-dichlorophenyl)ethyl]-3-methylpyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone)?

The InChIKey is WNZZRYGFCWPARA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H17Cl2N3O3.2C21H14F6N6O2.C20H16Cl2N4O3/c2*1-12-14(9-18(27)17-10-20(29-25-17)19-7-4-8-28-19)11-26(24-12)13(2)21-15(22)5-3-6-16(21)23;2*1-11(14-3-2-12(20(22,23)24)6-15(14)21(25,26)27)33-10-13(8-30-33)31-19(34)18-7-16(32-35-18)17-9-28-4-5-29-17;1-11-16(10-23-26(11)12(2)19-13(21)5-3-6-14(19)22)24-20(27)15-9-18(29-25-15)17-7-4-8-28-17/h2*3-8,10-11,13H,9H2,1-2H3;2*2-11H,1H3,(H,31,34);3-10,12H,1-2H3,(H,24,27).

What are the key properties of bis(N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyrazin-2-yl-1,2-oxazole-5-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;bis(2-[1-[1-(2,6-dichlorophenyl)ethyl]-3-methylpyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone)?

bis(N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyrazin-2-yl-1,2-oxazole-5-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;bis(2-[1-[1-(2,6-dichlorophenyl)ethyl]-3-methylpyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone) has a molecular weight of 2284.60 g/mol, XLogP of 27.62, 27 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyrazin-2-yl-1,2-oxazole-5-carboxamide);N-[1-[1-(2,6-dichlorophenyl)ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;bis(2-[1-[1-(2,6-dichlorophenyl)ethyl]-3-methylpyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone) is sourced from PubChem (CID 167688354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).