(5-methyl-1,2,4-oxadiazol-3-yl)methanol;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one

C35H25F6N7O9 — CID 159253733

About (5-methyl-1,2,4-oxadiazol-3-yl)methanol;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one

(5-methyl-1,2,4-oxadiazol-3-yl)methanol;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one (PubChem CID 159253733) has the molecular formula C35H25F6N7O9 and a molecular weight of 801.61 g/mol. Its IUPAC name is (5-methyl-1,2,4-oxadiazol-3-yl)methanol;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one.

Molecular Properties

• Compound Name: (5-methyl-1,2,4-oxadiazol-3-yl)methanol;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
• PubChem CID: 159253733
• Molecular Formula: C35H25F6N7O9
• Molecular Weight: 801.61 g/mol
• Exact Mass: 801.16
• IUPAC Name: (5-methyl-1,2,4-oxadiazol-3-yl)methanol;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
• SMILES: Cc1nc(CO)no1.Cc1nc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)no1.O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1
• InChI: InChI=1S/C17H11F3N4O4.C14H8F3NO3.C4H6N2O2/c1-9-21-14(23-28-9)8-24-15-13(26-16(24)25)7-6-12(22-15)10-2-4-11(5-3-10)27-17(18,19)20;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;1-3-5-4(2-7)6-8-3/h2-7H,8H2,1H3;1-6H,7H2;7H,2H2,1H3
• InChIKey: KVPXNWZEJYYSAH-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 203.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	801.61
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2,4-oxadiazol-3-yl)methanol;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?

The IUPAC name of (5-methyl-1,2,4-oxadiazol-3-yl)methanol;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one (CID 159253733) is (5-methyl-1,2,4-oxadiazol-3-yl)methanol;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one.

What is the SMILES notation for (5-methyl-1,2,4-oxadiazol-3-yl)methanol;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?

The canonical SMILES for (5-methyl-1,2,4-oxadiazol-3-yl)methanol;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one is Cc1nc(CO)no1.Cc1nc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)no1.O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.

What is the InChIKey of (5-methyl-1,2,4-oxadiazol-3-yl)methanol;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?

The InChIKey is KVPXNWZEJYYSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O4.C14H8F3NO3.C4H6N2O2/c1-9-21-14(23-28-9)8-24-15-13(26-16(24)25)7-6-12(22-15)10-2-4-11(5-3-10)27-17(18,19)20;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;1-3-5-4(2-7)6-8-3/h2-7H,8H2,1H3;1-6H,7H2;7H,2H2,1H3.

What are the key properties of (5-methyl-1,2,4-oxadiazol-3-yl)methanol;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?

(5-methyl-1,2,4-oxadiazol-3-yl)methanol;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one has a molecular weight of 801.61 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-1,2,4-oxadiazol-3-yl)methanol;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one is sourced from PubChem (CID 159253733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).