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

C35H27F6N9O7 — CID 159696802

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

(1-methyl-1,2,4-triazol-3-yl)methanol;3-[(1-methyl-1,2,4-triazol-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 159696802) has the molecular formula C35H27F6N9O7 and a molecular weight of 799.64 g/mol. Its IUPAC name is (1-methyl-1,2,4-triazol-3-yl)methanol;3-[(1-methyl-1,2,4-triazol-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: (1-methyl-1,2,4-triazol-3-yl)methanol;3-[(1-methyl-1,2,4-triazol-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: 159696802
• Molecular Formula: C35H27F6N9O7
• Molecular Weight: 799.64 g/mol
• Exact Mass: 799.19
• IUPAC Name: (1-methyl-1,2,4-triazol-3-yl)methanol;3-[(1-methyl-1,2,4-triazol-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: Cn1cnc(CO)n1.Cn1cnc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)n1.O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1
• InChI: InChI=1S/C17H12F3N5O3.C14H8F3NO3.C4H7N3O/c1-24-9-21-14(23-24)8-25-15-13(27-16(25)26)7-6-12(22-15)10-2-4-11(5-3-10)28-17(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;1-7-3-5-4(2-8)6-7/h2-7,9H,8H2,1H3;1-6H,7H2;3,8H,2H2,1H3
• InChIKey: MXCNXQFLZLOAQU-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 187.33 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	799.64
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (1-methyl-1,2,4-triazol-3-yl)methanol;3-[(1-methyl-1,2,4-triazol-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 (1-methyl-1,2,4-triazol-3-yl)methanol;3-[(1-methyl-1,2,4-triazol-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 159696802) is (1-methyl-1,2,4-triazol-3-yl)methanol;3-[(1-methyl-1,2,4-triazol-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 (1-methyl-1,2,4-triazol-3-yl)methanol;3-[(1-methyl-1,2,4-triazol-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 (1-methyl-1,2,4-triazol-3-yl)methanol;3-[(1-methyl-1,2,4-triazol-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 Cn1cnc(CO)n1.Cn1cnc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)n1.O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.

What is the InChIKey of (1-methyl-1,2,4-triazol-3-yl)methanol;3-[(1-methyl-1,2,4-triazol-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 MXCNXQFLZLOAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O3.C14H8F3NO3.C4H7N3O/c1-24-9-21-14(23-24)8-25-15-13(27-16(25)26)7-6-12(22-15)10-2-4-11(5-3-10)28-17(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;1-7-3-5-4(2-8)6-7/h2-7,9H,8H2,1H3;1-6H,7H2;3,8H,2H2,1H3.

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

(1-methyl-1,2,4-triazol-3-yl)methanol;3-[(1-methyl-1,2,4-triazol-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 799.64 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methyl-1,2,4-triazol-3-yl)methanol;3-[(1-methyl-1,2,4-triazol-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 159696802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).