3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-[1,2]oxazolo[5,4-c]pyridine

C75H50F13N13O14S — CID 159890574

About 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-[1,2]oxazolo[5,4-c]pyridine

3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-[1,2]oxazolo[5,4-c]pyridine (PubChem CID 159890574) has the molecular formula C75H50F13N13O14S and a molecular weight of 1636.34 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-[1,2]oxazolo[5,4-c]pyridine.

Molecular Properties

• Compound Name: 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-[1,2]oxazolo[5,4-c]pyridine
• PubChem CID: 159890574
• Molecular Formula: C75H50F13N13O14S
• Molecular Weight: 1636.34 g/mol
• Exact Mass: 1635.31
• IUPAC Name: 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-[1,2]oxazolo[5,4-c]pyridine
• SMILES: Cc1nnc(C(C)Oc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)o1.Cc1nnc(COc2noc3c(F)cc(-c4ccc(OC(F)(F)F)cc4)cc23)o1.FC(F)(F)Oc1ccc(-c2cc3c(OCc4ncccn4)noc3cn2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCc4nnc(C5CC5)s4)c3c2)cc1
• InChI: InChI=1S/C20H14F3N3O3S.C19H14F3N3O4.C18H11F4N3O4.C18H11F3N4O3/c21-20(22,23)28-14-6-3-11(4-7-14)13-5-8-16-15(9-13)18(26-29-16)27-10-17-24-25-19(30-17)12-1-2-12;1-10(17-24-23-11(2)27-17)26-18-15-9-13(5-8-16(15)29-25-18)12-3-6-14(7-4-12)28-19(20,21)22;1-9-23-24-15(27-9)8-26-17-13-6-11(7-14(19)16(13)29-25-17)10-2-4-12(5-3-10)28-18(20,21)22;19-18(20,21)27-12-4-2-11(3-5-12)14-8-13-15(9-24-14)28-25-17(13)26-10-16-22-6-1-7-23-16/h3-9,12H,1-2,10H2;3-10H,1-2H3;2-7H,8H2,1H3;1-9H,10H2
• InChIKey: NURVPVLZVBBCAW-UHFFFAOYSA-N
• XLogP: 19.89
• TPSA: 320.25 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1636.34
LogP ≤ 5	19.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-[1,2]oxazolo[5,4-c]pyridine?

The IUPAC name of 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-[1,2]oxazolo[5,4-c]pyridine (CID 159890574) is 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-[1,2]oxazolo[5,4-c]pyridine.

What is the SMILES notation for 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-[1,2]oxazolo[5,4-c]pyridine?

The canonical SMILES for 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-[1,2]oxazolo[5,4-c]pyridine is Cc1nnc(C(C)Oc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)o1.Cc1nnc(COc2noc3c(F)cc(-c4ccc(OC(F)(F)F)cc4)cc23)o1.FC(F)(F)Oc1ccc(-c2cc3c(OCc4ncccn4)noc3cn2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCc4nnc(C5CC5)s4)c3c2)cc1.

What is the InChIKey of 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-[1,2]oxazolo[5,4-c]pyridine?

The InChIKey is NURVPVLZVBBCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3S.C19H14F3N3O4.C18H11F4N3O4.C18H11F3N4O3/c21-20(22,23)28-14-6-3-11(4-7-14)13-5-8-16-15(9-13)18(26-29-16)27-10-17-24-25-19(30-17)12-1-2-12;1-10(17-24-23-11(2)27-17)26-18-15-9-13(5-8-16(15)29-25-18)12-3-6-14(7-4-12)28-19(20,21)22;1-9-23-24-15(27-9)8-26-17-13-6-11(7-14(19)16(13)29-25-17)10-2-4-12(5-3-10)28-18(20,21)22;19-18(20,21)27-12-4-2-11(3-5-12)14-8-13-15(9-24-14)28-25-17(13)26-10-16-22-6-1-7-23-16/h3-9,12H,1-2,10H2;3-10H,1-2H3;2-7H,8H2,1H3;1-9H,10H2.

What are the key properties of 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-[1,2]oxazolo[5,4-c]pyridine?

3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-[1,2]oxazolo[5,4-c]pyridine has a molecular weight of 1636.34 g/mol, XLogP of 19.89, 21 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-[1,2]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 159890574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).