5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-pyrimidin-2-ylethyl)-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyridin-3-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C120H89F19N20O20 — CID 158411468

About 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-pyrimidin-2-ylethyl)-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyridin-3-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-pyrimidin-2-ylethyl)-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyridin-3-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 158411468) has the molecular formula C120H89F19N20O20 and a molecular weight of 2492.11 g/mol. Its IUPAC name is 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-pyrimidin-2-ylethyl)-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyridin-3-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-pyrimidin-2-ylethyl)-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyridin-3-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
• PubChem CID: 158411468
• Molecular Formula: C120H89F19N20O20
• Molecular Weight: 2492.11 g/mol
• Exact Mass: 2490.63
• IUPAC Name: 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-pyrimidin-2-ylethyl)-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyridin-3-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
• SMILES: CO[C@H]1CCN(C(=O)Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)cc32)C1.Cc1cc(OC(F)(F)F)ccc1-c1ccc2oc(=O)n(CCc3ncccn3)c2c1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1CCc1cnccn1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CCc1cccnc1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CCc1cnccn1.O=c1oc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)nc2n1CCc1ncccn1
• InChI: InChI=1S/C21H16F3N3O3.C21H19F3N2O5.2C20H14F3N3O3.C19H13F4N5O3.C19H13F3N4O3/c1-13-11-15(30-21(22,23)24)4-5-16(13)14-3-6-18-17(12-14)27(20(28)29-18)10-7-19-25-8-2-9-26-19;1-29-16-8-9-25(11-16)19(27)12-26-17-10-14(4-7-18(17)30-20(26)28)13-2-5-15(6-3-13)31-21(22,23)24;21-20(22,23)29-16-4-1-13(2-5-16)14-3-6-18-17(11-14)26(19(27)28-18)10-7-15-12-24-8-9-25-15;21-20(22,23)29-15-5-3-14(4-6-15)16-7-8-17-18(25-16)26(19(27)28-17)11-9-13-2-1-10-24-12-13;20-12-8-11(9-26-17(12)30-10-19(21,22)23)13-2-3-14-16(27-13)28(18(29)31-14)7-4-15-24-5-1-6-25-15;20-19(21,22)29-14-3-1-12(2-4-14)15-5-6-16-17(25-15)26(18(27)28-16)10-7-13-11-23-8-9-24-13/h2-6,8-9,11-12H,7,10H2,1H3;2-7,10,16H,8-9,11-12H2,1H3;1-6,8-9,11-12H,7,10H2;1-8,10,12H,9,11H2;1-3,5-6,8-9H,4,7,10H2;1-6,8-9,11H,7,10H2/t;16-;;;;/m.0..../s1
• InChIKey: GZJDZTSXRNQJJK-NKLKMKEXSA-N
• XLogP: 23.05
• TPSA: 463.33 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 31
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2492.11
LogP ≤ 5	23.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-pyrimidin-2-ylethyl)-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyridin-3-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?

The IUPAC name of 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-pyrimidin-2-ylethyl)-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyridin-3-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 158411468) is 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-pyrimidin-2-ylethyl)-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyridin-3-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

What is the SMILES notation for 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-pyrimidin-2-ylethyl)-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyridin-3-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?

The canonical SMILES for 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-pyrimidin-2-ylethyl)-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyridin-3-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is CO[C@H]1CCN(C(=O)Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)cc32)C1.Cc1cc(OC(F)(F)F)ccc1-c1ccc2oc(=O)n(CCc3ncccn3)c2c1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1CCc1cnccn1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CCc1cccnc1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CCc1cnccn1.O=c1oc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)nc2n1CCc1ncccn1.

What is the InChIKey of 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-pyrimidin-2-ylethyl)-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyridin-3-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?

The InChIKey is GZJDZTSXRNQJJK-NKLKMKEXSA-N. The full InChI is InChI=1S/C21H16F3N3O3.C21H19F3N2O5.2C20H14F3N3O3.C19H13F4N5O3.C19H13F3N4O3/c1-13-11-15(30-21(22,23)24)4-5-16(13)14-3-6-18-17(12-14)27(20(28)29-18)10-7-19-25-8-2-9-26-19;1-29-16-8-9-25(11-16)19(27)12-26-17-10-14(4-7-18(17)30-20(26)28)13-2-5-15(6-3-13)31-21(22,23)24;21-20(22,23)29-16-4-1-13(2-5-16)14-3-6-18-17(11-14)26(19(27)28-18)10-7-15-12-24-8-9-25-15;21-20(22,23)29-15-5-3-14(4-6-15)16-7-8-17-18(25-16)26(19(27)28-17)11-9-13-2-1-10-24-12-13;20-12-8-11(9-26-17(12)30-10-19(21,22)23)13-2-3-14-16(27-13)28(18(29)31-14)7-4-15-24-5-1-6-25-15;20-19(21,22)29-14-3-1-12(2-4-14)15-5-6-16-17(25-15)26(18(27)28-16)10-7-13-11-23-8-9-24-13/h2-6,8-9,11-12H,7,10H2,1H3;2-7,10,16H,8-9,11-12H2,1H3;1-6,8-9,11-12H,7,10H2;1-8,10,12H,9,11H2;1-3,5-6,8-9H,4,7,10H2;1-6,8-9,11H,7,10H2/t;16-;;;;/m.0..../s1.

What are the key properties of 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-pyrimidin-2-ylethyl)-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyridin-3-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?

5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-pyrimidin-2-ylethyl)-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyridin-3-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 2492.11 g/mol, XLogP of 23.05, 31 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-pyrimidin-2-ylethyl)-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrazin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyridin-3-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 158411468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).