3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

C100H71F16N13O18S — CID 159144132

About 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (PubChem CID 159144132) has the molecular formula C100H71F16N13O18S and a molecular weight of 2078.78 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

Molecular Properties

• Compound Name: 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
• PubChem CID: 159144132
• Molecular Formula: C100H71F16N13O18S
• Molecular Weight: 2078.78 g/mol
• Exact Mass: 2077.45
• IUPAC Name: 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
• SMILES: Cc1cc(-c2ccc(OC(F)(F)F)cc2)cc2c(OCc3nnc(C4CC4)o3)noc12.Cc1cc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)on1.Cc1cccc(COc2noc3c(C)cc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.Cc1nnc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)s1.Fc1cc(-c2ccc(OC(F)(F)F)cc2)cc2c(OCc3nnc(C4CC4)o3)noc12
• InChI: InChI=1S/C22H17F3N2O3.C21H16F3N3O4.C20H13F4N3O4.C19H13F3N2O4.C18H12F3N3O3S/c1-13-10-16(15-6-8-18(9-7-15)29-22(23,24)25)11-19-20(13)30-27-21(19)28-12-17-5-3-4-14(2)26-17;1-11-8-14(12-4-6-15(7-5-12)30-21(22,23)24)9-16-18(11)31-27-20(16)28-10-17-25-26-19(29-17)13-2-3-13;21-15-8-12(10-3-5-13(6-4-10)30-20(22,23)24)7-14-17(15)31-27-19(14)28-9-16-25-26-18(29-16)11-1-2-11;1-11-8-15(27-23-11)10-25-18-16-9-13(4-7-17(16)28-24-18)12-2-5-14(6-3-12)26-19(20,21)22;1-10-22-23-16(28-10)9-25-17-14-8-12(4-7-15(14)27-24-17)11-2-5-13(6-3-11)26-18(19,20)21/h3-11H,12H2,1-2H3;4-9,13H,2-3,10H2,1H3;3-8,11H,1-2,9H2;2-9H,10H2,1H3;2-8H,9H2,1H3
• InChIKey: KILSJTMDFPTOPG-UHFFFAOYSA-N
• XLogP: 27.30
• TPSA: 364.99 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2078.78
LogP ≤ 5	27.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The IUPAC name of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (CID 159144132) is 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

What is the SMILES notation for 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The canonical SMILES for 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is Cc1cc(-c2ccc(OC(F)(F)F)cc2)cc2c(OCc3nnc(C4CC4)o3)noc12.Cc1cc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)on1.Cc1cccc(COc2noc3c(C)cc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.Cc1nnc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)s1.Fc1cc(-c2ccc(OC(F)(F)F)cc2)cc2c(OCc3nnc(C4CC4)o3)noc12.

What is the InChIKey of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The InChIKey is KILSJTMDFPTOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O3.C21H16F3N3O4.C20H13F4N3O4.C19H13F3N2O4.C18H12F3N3O3S/c1-13-10-16(15-6-8-18(9-7-15)29-22(23,24)25)11-19-20(13)30-27-21(19)28-12-17-5-3-4-14(2)26-17;1-11-8-14(12-4-6-15(7-5-12)30-21(22,23)24)9-16-18(11)31-27-20(16)28-10-17-25-26-19(29-17)13-2-3-13;21-15-8-12(10-3-5-13(6-4-10)30-20(22,23)24)7-14-17(15)31-27-19(14)28-9-16-25-26-18(29-16)11-1-2-11;1-11-8-15(27-23-11)10-25-18-16-9-13(4-7-17(16)28-24-18)12-2-5-14(6-3-12)26-19(20,21)22;1-10-22-23-16(28-10)9-25-17-14-8-12(4-7-15(14)27-24-17)11-2-5-13(6-3-11)26-18(19,20)21/h3-11H,12H2,1-2H3;4-9,13H,2-3,10H2,1H3;3-8,11H,1-2,9H2;2-9H,10H2,1H3;2-8H,9H2,1H3.

What are the key properties of 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole has a molecular weight of 2078.78 g/mol, XLogP of 27.30, 27 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-1,2-oxazol-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is sourced from PubChem (CID 159144132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).