N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;2,6-difluoro-4-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-yl]-2,6-difluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide

C95H66ClF17N22O6S2 — CID 163872175

About N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;2,6-difluoro-4-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-yl]-2,6-difluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide

N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;2,6-difluoro-4-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-yl]-2,6-difluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide (PubChem CID 163872175) has the molecular formula C95H66ClF17N22O6S2 and a molecular weight of 2034.27 g/mol. Its IUPAC name is N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;2,6-difluoro-4-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-yl]-2,6-difluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;2,6-difluoro-4-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-yl]-2,6-difluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide
• PubChem CID: 163872175
• Molecular Formula: C95H66ClF17N22O6S2
• Molecular Weight: 2034.27 g/mol
• Exact Mass: 2032.44
• IUPAC Name: N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;2,6-difluoro-4-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-yl]-2,6-difluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide
• SMILES: CCn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)nc1.CCn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2c(F)cc(C)cc2F)nc1.Cc1cc(F)c(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)cn2)c(F)c1.Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4c(F)cccc4F)nc3)cc2o1.Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F
• InChI: InChI=1S/C20H13F3N4OS.C19H11ClF2N4O2.C19H15F5N4O.C19H14F2N6OS.C18H13F5N4O/c1-11-14(10-27(26-11)20-24-7-8-29-20)13-6-5-12(9-17(13)23)25-19(28)18-15(21)3-2-4-16(18)22;1-9-25-15-6-12(20)11(5-16(15)28-9)10-7-23-19(24-8-10)26-18(27)17-13(21)3-2-4-14(17)22;1-3-28-14(8-15(27-28)19(22,23)24)11-4-5-16(25-9-11)26-18(29)17-12(20)6-10(2)7-13(17)21;1-2-27-15(8-14(26-27)18-22-6-7-29-18)11-9-23-19(24-10-11)25-17(28)16-12(20)4-3-5-13(16)21;1-9-5-11(19)16(12(20)6-9)17(28)25-15-4-3-10(8-24-15)13-7-14(18(21,22)23)26-27(13)2/h2-10H,1H3,(H,25,28);2-8H,1H3,(H,23,24,26,27);4-9H,3H2,1-2H3,(H,25,26,29);3-10H,2H2,1H3,(H,23,24,25,28);3-8H,1-2H3,(H,24,25,28)
• InChIKey: PLTQWROXMOPAFO-UHFFFAOYSA-N
• XLogP: 22.93
• TPSA: 345.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2034.27
LogP ≤ 5	22.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;2,6-difluoro-4-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-yl]-2,6-difluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide?

The IUPAC name of N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;2,6-difluoro-4-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-yl]-2,6-difluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide (CID 163872175) is N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;2,6-difluoro-4-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-yl]-2,6-difluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide.

What is the SMILES notation for N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;2,6-difluoro-4-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-yl]-2,6-difluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide?

The canonical SMILES for N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;2,6-difluoro-4-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-yl]-2,6-difluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide is CCn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)nc1.CCn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2c(F)cc(C)cc2F)nc1.Cc1cc(F)c(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)cn2)c(F)c1.Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4c(F)cccc4F)nc3)cc2o1.Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F.

What is the InChIKey of N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;2,6-difluoro-4-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-yl]-2,6-difluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide?

The InChIKey is PLTQWROXMOPAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4OS.C19H11ClF2N4O2.C19H15F5N4O.C19H14F2N6OS.C18H13F5N4O/c1-11-14(10-27(26-11)20-24-7-8-29-20)13-6-5-12(9-17(13)23)25-19(28)18-15(21)3-2-4-16(18)22;1-9-25-15-6-12(20)11(5-16(15)28-9)10-7-23-19(24-8-10)26-18(27)17-13(21)3-2-4-14(17)22;1-3-28-14(8-15(27-28)19(22,23)24)11-4-5-16(25-9-11)26-18(29)17-12(20)6-10(2)7-13(17)21;1-2-27-15(8-14(26-27)18-22-6-7-29-18)11-9-23-19(24-10-11)25-17(28)16-12(20)4-3-5-13(16)21;1-9-5-11(19)16(12(20)6-9)17(28)25-15-4-3-10(8-24-15)13-7-14(18(21,22)23)26-27(13)2/h2-10H,1H3,(H,25,28);2-8H,1H3,(H,23,24,26,27);4-9H,3H2,1-2H3,(H,25,26,29);3-10H,2H2,1H3,(H,23,24,25,28);3-8H,1-2H3,(H,24,25,28).

What are the key properties of N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;2,6-difluoro-4-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-yl]-2,6-difluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide?

N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;2,6-difluoro-4-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-yl]-2,6-difluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide has a molecular weight of 2034.27 g/mol, XLogP of 22.93, 19 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;2,6-difluoro-4-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-yl]-2,6-difluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide is sourced from PubChem (CID 163872175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).