5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrazin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C116H91F17N20O20 — CID 158366975

About 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrazin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrazin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 158366975) has the molecular formula C116H91F17N20O20 and a molecular weight of 2408.09 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrazin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrazin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
• PubChem CID: 158366975
• Molecular Formula: C116H91F17N20O20
• Molecular Weight: 2408.09 g/mol
• Exact Mass: 2406.64
• IUPAC Name: 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrazin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
• SMILES: C=C1CCCN1CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.Cc1cc(OC(F)(F)F)ccc1-c1ccc2oc(=O)n(CC(=O)N3CCCC3)c2n1.O=C(Cn1c(=O)oc2ccc(-c3ccc(OC(F)F)cc3)nc21)N1CCCC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1CCc1ccncn1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CCc1ccncn1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1Cc1cnccn1
• InChI: InChI=1S/C20H18F3N3O4.C20H14F3N3O3.C20H18F3N3O3.C19H13F3N4O3.C19H17F2N3O4.C18H11F3N4O3/c1-12-10-13(30-20(21,22)23)4-5-14(12)15-6-7-16-18(24-15)26(19(28)29-16)11-17(27)25-8-2-3-9-25;21-20(22,23)29-16-4-1-13(2-5-16)14-3-6-18-17(11-14)26(19(27)28-18)10-8-15-7-9-24-12-25-15;1-13-3-2-10-25(13)11-12-26-18-17(28-19(26)27)9-8-16(24-18)14-4-6-15(7-5-14)29-20(21,22)23;20-19(21,22)29-14-3-1-12(2-4-14)15-5-6-16-17(25-15)26(18(27)28-16)10-8-13-7-9-23-11-24-13;20-18(21)27-13-5-3-12(4-6-13)14-7-8-15-17(22-14)24(19(26)28-15)11-16(25)23-9-1-2-10-23;19-18(20,21)28-13-3-1-11(2-4-13)14-5-6-15-16(24-14)25(17(26)27-15)10-12-9-22-7-8-23-12/h4-7,10H,2-3,8-9,11H2,1H3;1-7,9,11-12H,8,10H2;4-9H,1-3,10-12H2;1-7,9,11H,8,10H2;3-8,18H,1-2,9-11H2;1-9H,10H2
• InChIKey: GUDMQBWRXGZDSC-UHFFFAOYSA-N
• XLogP: 21.70
• TPSA: 451.87 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 28
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2408.09
LogP ≤ 5	21.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrazin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?

The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrazin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 158366975) is 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrazin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrazin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?

The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrazin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is C=C1CCCN1CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.Cc1cc(OC(F)(F)F)ccc1-c1ccc2oc(=O)n(CC(=O)N3CCCC3)c2n1.O=C(Cn1c(=O)oc2ccc(-c3ccc(OC(F)F)cc3)nc21)N1CCCC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1CCc1ccncn1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CCc1ccncn1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1Cc1cnccn1.

What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrazin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?

The InChIKey is GUDMQBWRXGZDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4.C20H14F3N3O3.C20H18F3N3O3.C19H13F3N4O3.C19H17F2N3O4.C18H11F3N4O3/c1-12-10-13(30-20(21,22)23)4-5-14(12)15-6-7-16-18(24-15)26(19(28)29-16)11-17(27)25-8-2-3-9-25;21-20(22,23)29-16-4-1-13(2-5-16)14-3-6-18-17(11-14)26(19(27)28-18)10-8-15-7-9-24-12-25-15;1-13-3-2-10-25(13)11-12-26-18-17(28-19(26)27)9-8-16(24-18)14-4-6-15(7-5-14)29-20(21,22)23;20-19(21,22)29-14-3-1-12(2-4-14)15-5-6-16-17(25-15)26(18(27)28-16)10-8-13-7-9-23-11-24-13;20-18(21)27-13-5-3-12(4-6-13)14-7-8-15-17(22-14)24(19(26)28-15)11-16(25)23-9-1-2-10-23;19-18(20,21)28-13-3-1-11(2-4-13)14-5-6-15-16(24-14)25(17(26)27-15)10-12-9-22-7-8-23-12/h4-7,10H,2-3,8-9,11H2,1H3;1-7,9,11-12H,8,10H2;4-9H,1-3,10-12H2;1-7,9,11H,8,10H2;3-8,18H,1-2,9-11H2;1-9H,10H2.

What are the key properties of 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrazin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?

5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrazin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 2408.09 g/mol, XLogP of 21.70, 28 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrazin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 158366975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).