(2-methyl-1,3-oxazol-4-yl)methanol;3-[(2-methyl-1,3-oxazol-4-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

C37H27F6N5O9 — CID 157197829

About (2-methyl-1,3-oxazol-4-yl)methanol;3-[(2-methyl-1,3-oxazol-4-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

(2-methyl-1,3-oxazol-4-yl)methanol;3-[(2-methyl-1,3-oxazol-4-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 157197829) has the molecular formula C37H27F6N5O9 and a molecular weight of 799.64 g/mol. Its IUPAC name is (2-methyl-1,3-oxazol-4-yl)methanol;3-[(2-methyl-1,3-oxazol-4-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: (2-methyl-1,3-oxazol-4-yl)methanol;3-[(2-methyl-1,3-oxazol-4-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: 157197829
• Molecular Formula: C37H27F6N5O9
• Molecular Weight: 799.64 g/mol
• Exact Mass: 799.17
• IUPAC Name: (2-methyl-1,3-oxazol-4-yl)methanol;3-[(2-methyl-1,3-oxazol-4-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)co1.Cc1nc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)co1.O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1
• InChI: InChI=1S/C18H12F3N3O4.C14H8F3NO3.C5H7NO2/c1-10-22-12(9-26-10)8-24-16-15(27-17(24)25)7-6-14(23-16)11-2-4-13(5-3-11)28-18(19,20)21;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;1-4-6-5(2-7)3-8-4/h2-7,9H,8H2,1H3;1-6H,7H2;3,7H,2H2,1H3
• InChIKey: AQLLEPKCZHCNJH-UHFFFAOYSA-N
• XLogP: 7.48
• TPSA: 177.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	799.64
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-oxazol-4-yl)methanol;3-[(2-methyl-1,3-oxazol-4-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 (2-methyl-1,3-oxazol-4-yl)methanol;3-[(2-methyl-1,3-oxazol-4-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 157197829) is (2-methyl-1,3-oxazol-4-yl)methanol;3-[(2-methyl-1,3-oxazol-4-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 (2-methyl-1,3-oxazol-4-yl)methanol;3-[(2-methyl-1,3-oxazol-4-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 (2-methyl-1,3-oxazol-4-yl)methanol;3-[(2-methyl-1,3-oxazol-4-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)co1.Cc1nc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)co1.O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.

What is the InChIKey of (2-methyl-1,3-oxazol-4-yl)methanol;3-[(2-methyl-1,3-oxazol-4-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 AQLLEPKCZHCNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O4.C14H8F3NO3.C5H7NO2/c1-10-22-12(9-26-10)8-24-16-15(27-17(24)25)7-6-14(23-16)11-2-4-13(5-3-11)28-18(19,20)21;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;1-4-6-5(2-7)3-8-4/h2-7,9H,8H2,1H3;1-6H,7H2;3,7H,2H2,1H3.

What are the key properties of (2-methyl-1,3-oxazol-4-yl)methanol;3-[(2-methyl-1,3-oxazol-4-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?

(2-methyl-1,3-oxazol-4-yl)methanol;3-[(2-methyl-1,3-oxazol-4-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 799.64 g/mol, XLogP of 7.48, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methyl-1,3-oxazol-4-yl)methanol;3-[(2-methyl-1,3-oxazol-4-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 157197829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).