1-[4-[3-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[4-(trifluoromethyl)-2-[[(5S)-5-[2-(trifluoromethyl)-4-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]phenyl]-3-pyridinyl]-3-methylphenyl]ethanone

C99H77F21N8O10 — CID 159150386

About 1-[4-[3-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[4-(trifluoromethyl)-2-[[(5S)-5-[2-(trifluoromethyl)-4-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]phenyl]-3-pyridinyl]-3-methylphenyl]ethanone

1-[4-[3-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[4-(trifluoromethyl)-2-[[(5S)-5-[2-(trifluoromethyl)-4-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]phenyl]-3-pyridinyl]-3-methylphenyl]ethanone (PubChem CID 159150386) has the molecular formula C99H77F21N8O10 and a molecular weight of 1937.71 g/mol. Its IUPAC name is 1-[4-[3-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[4-(trifluoromethyl)-2-[[(5S)-5-[2-(trifluoromethyl)-4-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]phenyl]-3-pyridinyl]-3-methylphenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[3-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[4-(trifluoromethyl)-2-[[(5S)-5-[2-(trifluoromethyl)-4-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]phenyl]-3-pyridinyl]-3-methylphenyl]ethanone
• PubChem CID: 159150386
• Molecular Formula: C99H77F21N8O10
• Molecular Weight: 1937.71 g/mol
• Exact Mass: 1936.54
• IUPAC Name: 1-[4-[3-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[4-(trifluoromethyl)-2-[[(5S)-5-[2-(trifluoromethyl)-4-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]phenyl]-3-pyridinyl]-3-methylphenyl]ethanone
• SMILES: COc1ccc(-c2cc(-c3ccc(C(C)=O)cc3C)ccc2OC)c(CC2=NO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)n1.COc1ncc(-c2ccc(C(C)=O)cc2C)cc1-c1ccc(C(F)(F)F)cc1CC1=NO[C@H](c2ccnc(C(F)(F)F)c2)C1.COc1ncc(-c2ccc(C(C)=O)cc2C)cc1-c1ccc(C(F)(F)F)nc1CC1=NO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
• InChI: InChI=1S/C34H28F6N2O4.C33H24F9N3O3.C32H25F6N3O3/c1-18-11-20(19(2)43)5-7-26(18)21-6-9-30(44-3)28(14-21)27-8-10-32(45-4)41-29(27)16-25-17-31(46-42-25)22-12-23(33(35,36)37)15-24(13-22)34(38,39)40;1-16-8-18(17(2)46)4-5-24(16)20-11-26(30(47-3)43-15-20)25-6-7-29(33(40,41)42)44-27(25)13-23-14-28(48-45-23)19-9-21(31(34,35)36)12-22(10-19)32(37,38)39;1-17-10-19(18(2)42)4-6-25(17)22-13-27(30(43-3)40-16-22)26-7-5-23(31(33,34)35)11-21(26)12-24-15-28(44-41-24)20-8-9-39-29(14-20)32(36,37)38/h5-15,31H,16-17H2,1-4H3;4-12,15,28H,13-14H2,1-3H3;4-11,13-14,16,28H,12,15H2,1-3H3/t31-;2*28-/m000/s1
• InChIKey: KJEZEGDECNVMKF-DXYAFSBCSA-N
• XLogP: 26.92
• TPSA: 217.35 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1937.71
LogP ≤ 5	26.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[4-(trifluoromethyl)-2-[[(5S)-5-[2-(trifluoromethyl)-4-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]phenyl]-3-pyridinyl]-3-methylphenyl]ethanone?

The IUPAC name of 1-[4-[3-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[4-(trifluoromethyl)-2-[[(5S)-5-[2-(trifluoromethyl)-4-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]phenyl]-3-pyridinyl]-3-methylphenyl]ethanone (CID 159150386) is 1-[4-[3-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[4-(trifluoromethyl)-2-[[(5S)-5-[2-(trifluoromethyl)-4-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]phenyl]-3-pyridinyl]-3-methylphenyl]ethanone.

What is the SMILES notation for 1-[4-[3-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[4-(trifluoromethyl)-2-[[(5S)-5-[2-(trifluoromethyl)-4-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]phenyl]-3-pyridinyl]-3-methylphenyl]ethanone?

The canonical SMILES for 1-[4-[3-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[4-(trifluoromethyl)-2-[[(5S)-5-[2-(trifluoromethyl)-4-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]phenyl]-3-pyridinyl]-3-methylphenyl]ethanone is COc1ccc(-c2cc(-c3ccc(C(C)=O)cc3C)ccc2OC)c(CC2=NO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)n1.COc1ncc(-c2ccc(C(C)=O)cc2C)cc1-c1ccc(C(F)(F)F)cc1CC1=NO[C@H](c2ccnc(C(F)(F)F)c2)C1.COc1ncc(-c2ccc(C(C)=O)cc2C)cc1-c1ccc(C(F)(F)F)nc1CC1=NO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1.

What is the InChIKey of 1-[4-[3-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[4-(trifluoromethyl)-2-[[(5S)-5-[2-(trifluoromethyl)-4-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]phenyl]-3-pyridinyl]-3-methylphenyl]ethanone?

The InChIKey is KJEZEGDECNVMKF-DXYAFSBCSA-N. The full InChI is InChI=1S/C34H28F6N2O4.C33H24F9N3O3.C32H25F6N3O3/c1-18-11-20(19(2)43)5-7-26(18)21-6-9-30(44-3)28(14-21)27-8-10-32(45-4)41-29(27)16-25-17-31(46-42-25)22-12-23(33(35,36)37)15-24(13-22)34(38,39)40;1-16-8-18(17(2)46)4-5-24(16)20-11-26(30(47-3)43-15-20)25-6-7-29(33(40,41)42)44-27(25)13-23-14-28(48-45-23)19-9-21(31(34,35)36)12-22(10-19)32(37,38)39;1-17-10-19(18(2)42)4-6-25(17)22-13-27(30(43-3)40-16-22)26-7-5-23(31(33,34)35)11-21(26)12-24-15-28(44-41-24)20-8-9-39-29(14-20)32(36,37)38/h5-15,31H,16-17H2,1-4H3;4-12,15,28H,13-14H2,1-3H3;4-11,13-14,16,28H,12,15H2,1-3H3/t31-;2*28-/m000/s1.

What are the key properties of 1-[4-[3-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[4-(trifluoromethyl)-2-[[(5S)-5-[2-(trifluoromethyl)-4-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]phenyl]-3-pyridinyl]-3-methylphenyl]ethanone?

1-[4-[3-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[4-(trifluoromethyl)-2-[[(5S)-5-[2-(trifluoromethyl)-4-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]phenyl]-3-pyridinyl]-3-methylphenyl]ethanone has a molecular weight of 1937.71 g/mol, XLogP of 26.92, 22 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-4-methoxyphenyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-(trifluoromethyl)-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[6-methoxy-5-[4-(trifluoromethyl)-2-[[(5S)-5-[2-(trifluoromethyl)-4-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]phenyl]-3-pyridinyl]-3-methylphenyl]ethanone is sourced from PubChem (CID 159150386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).