3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-[1,3]oxazolo[4,5-b]pyridine;N-ethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-fluoro-2-methylcyclopropyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one

C124H95F25N18O23 — CID 158842589

About 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-[1,3]oxazolo[4,5-b]pyridine;N-ethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-fluoro-2-methylcyclopropyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one

3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-[1,3]oxazolo[4,5-b]pyridine;N-ethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-fluoro-2-methylcyclopropyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one (PubChem CID 158842589) has the molecular formula C124H95F25N18O23 and a molecular weight of 2680.18 g/mol. Its IUPAC name is 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-[1,3]oxazolo[4,5-b]pyridine;N-ethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-fluoro-2-methylcyclopropyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-[1,3]oxazolo[4,5-b]pyridine;N-ethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-fluoro-2-methylcyclopropyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one
• PubChem CID: 158842589
• Molecular Formula: C124H95F25N18O23
• Molecular Weight: 2680.18 g/mol
• Exact Mass: 2678.64
• IUPAC Name: 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-[1,3]oxazolo[4,5-b]pyridine;N-ethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-fluoro-2-methylcyclopropyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one
• SMILES: C=C1Oc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)nc2N1CC.CC1(F)CC1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.CC1(F)C[C@@H]1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.CC1(F)C[C@H]1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.CCNC(=O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.Cc1nnc(CCn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)o1.Cc1nnc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)cc32)o1
• InChI: InChI=1S/3C18H14F4N2O3.C18H13F3N4O4.C18H12F3N3O4.C18H15F3N2O4.C16H13F4N3O2/c3*1-17(19)8-11(17)9-24-15-14(26-16(24)25)7-6-13(23-15)10-2-4-12(5-3-10)27-18(20,21)22;1-10-23-24-15(27-10)8-9-25-16-14(28-17(25)26)7-6-13(22-16)11-2-4-12(5-3-11)29-18(19,20)21;1-10-22-23-16(26-10)9-24-14-8-12(4-7-15(14)27-17(24)25)11-2-5-13(6-3-11)28-18(19,20)21;1-2-22-16(24)10-23-14-9-12(5-8-15(14)26-17(23)25)11-3-6-13(7-4-11)27-18(19,20)21;1-3-23-9(2)25-13-5-4-12(22-14(13)23)10-6-11(17)15(21-7-10)24-8-16(18,19)20/h3*2-7,11H,8-9H2,1H3;2-7H,8-9H2,1H3;2-8H,9H2,1H3;3-9H,2,10H2,1H3,(H,22,24);4-7H,2-3,8H2,1H3/t2*11-,17?;;;;;/m10...../s1
• InChIKey: IYKWNUWMLIOPLN-DAUSPCSYSA-N
• XLogP: 27.51
• TPSA: 472.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 40
• Rotatable Bonds: 30
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2680.18
LogP ≤ 5	27.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-[1,3]oxazolo[4,5-b]pyridine;N-ethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-fluoro-2-methylcyclopropyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one?

The IUPAC name of 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-[1,3]oxazolo[4,5-b]pyridine;N-ethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-fluoro-2-methylcyclopropyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one (CID 158842589) is 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-[1,3]oxazolo[4,5-b]pyridine;N-ethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-fluoro-2-methylcyclopropyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one.

What is the SMILES notation for 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-[1,3]oxazolo[4,5-b]pyridine;N-ethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-fluoro-2-methylcyclopropyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one?

The canonical SMILES for 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-[1,3]oxazolo[4,5-b]pyridine;N-ethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-fluoro-2-methylcyclopropyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one is C=C1Oc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)nc2N1CC.CC1(F)CC1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.CC1(F)C[C@@H]1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.CC1(F)C[C@H]1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.CCNC(=O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.Cc1nnc(CCn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)o1.Cc1nnc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)cc32)o1.

What is the InChIKey of 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-[1,3]oxazolo[4,5-b]pyridine;N-ethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-fluoro-2-methylcyclopropyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one?

The InChIKey is IYKWNUWMLIOPLN-DAUSPCSYSA-N. The full InChI is InChI=1S/3C18H14F4N2O3.C18H13F3N4O4.C18H12F3N3O4.C18H15F3N2O4.C16H13F4N3O2/c3*1-17(19)8-11(17)9-24-15-14(26-16(24)25)7-6-13(23-15)10-2-4-12(5-3-10)27-18(20,21)22;1-10-23-24-15(27-10)8-9-25-16-14(28-17(25)26)7-6-13(22-16)11-2-4-12(5-3-11)29-18(19,20)21;1-10-22-23-16(26-10)9-24-14-8-12(4-7-15(14)27-17(24)25)11-2-5-13(6-3-11)28-18(19,20)21;1-2-22-16(24)10-23-14-9-12(5-8-15(14)26-17(23)25)11-3-6-13(7-4-11)27-18(19,20)21;1-3-23-9(2)25-13-5-4-12(22-14(13)23)10-6-11(17)15(21-7-10)24-8-16(18,19)20/h3*2-7,11H,8-9H2,1H3;2-7H,8-9H2,1H3;2-8H,9H2,1H3;3-9H,2,10H2,1H3,(H,22,24);4-7H,2-3,8H2,1H3/t2*11-,17?;;;;;/m10...../s1.

What are the key properties of 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-[1,3]oxazolo[4,5-b]pyridine;N-ethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-fluoro-2-methylcyclopropyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one?

3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-[1,3]oxazolo[4,5-b]pyridine;N-ethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-fluoro-2-methylcyclopropyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one has a molecular weight of 2680.18 g/mol, XLogP of 27.51, 30 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-[1,3]oxazolo[4,5-b]pyridine;N-ethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-fluoro-2-methylcyclopropyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 158842589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).