3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C126H107F21N14O25 — CID 158881946

About 3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 158881946) has the molecular formula C126H107F21N14O25 and a molecular weight of 2616.27 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
• PubChem CID: 158881946
• Molecular Formula: C126H107F21N14O25
• Molecular Weight: 2616.27 g/mol
• Exact Mass: 2614.72
• IUPAC Name: 3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
• SMILES: C[C@@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.C[C@@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.C[C@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.C[C@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCCCC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1Cc1cncnc1
• InChI: InChI=1S/C20H19F3N2O3.C18H11F3N4O3.C18H15F3N2O3.2C18H16F3NO4.2C17H15F3N2O4/c21-20(22,23)28-15-8-6-14(7-9-15)16-10-11-17-18(24-16)25(19(26)27-17)12-13-4-2-1-3-5-13;19-18(20,21)28-13-3-1-12(2-4-13)14-5-6-15-16(24-14)25(17(26)27-15)9-11-7-22-10-23-8-11;19-18(20,21)26-13-6-4-12(5-7-13)14-8-9-15-16(22-14)23(17(24)25-15)10-11-2-1-3-11;2*1-11(23)8-9-22-15-10-13(4-7-16(15)25-17(22)24)12-2-5-14(6-3-12)26-18(19,20)21;2*1-10(23)8-9-22-15-14(25-16(22)24)7-6-13(21-15)11-2-4-12(5-3-11)26-17(18,19)20/h6-11,13H,1-5,12H2;1-8,10H,9H2;4-9,11H,1-3,10H2;2*2-7,10-11,23H,8-9H2,1H3;2*2-7,10,23H,8-9H2,1H3/t;;;2*11-;2*10-/m...1010/s1
• InChIKey: JDDDSBHQWLWHAV-ABLAOBNXSA-N
• XLogP: 27.40
• TPSA: 481.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 32
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2616.27
LogP ≤ 5	27.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?

The IUPAC name of 3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 158881946) is 3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

What is the SMILES notation for 3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?

The canonical SMILES for 3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is C[C@@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.C[C@@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.C[C@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.C[C@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCCCC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1Cc1cncnc1.

What is the InChIKey of 3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?

The InChIKey is JDDDSBHQWLWHAV-ABLAOBNXSA-N. The full InChI is InChI=1S/C20H19F3N2O3.C18H11F3N4O3.C18H15F3N2O3.2C18H16F3NO4.2C17H15F3N2O4/c21-20(22,23)28-15-8-6-14(7-9-15)16-10-11-17-18(24-16)25(19(26)27-17)12-13-4-2-1-3-5-13;19-18(20,21)28-13-3-1-12(2-4-13)14-5-6-15-16(24-14)25(17(26)27-15)9-11-7-22-10-23-8-11;19-18(20,21)26-13-6-4-12(5-7-13)14-8-9-15-16(22-14)23(17(24)25-15)10-11-2-1-3-11;2*1-11(23)8-9-22-15-10-13(4-7-16(15)25-17(22)24)12-2-5-14(6-3-12)26-18(19,20)21;2*1-10(23)8-9-22-15-14(25-16(22)24)7-6-13(21-15)11-2-4-12(5-3-11)26-17(18,19)20/h6-11,13H,1-5,12H2;1-8,10H,9H2;4-9,11H,1-3,10H2;2*2-7,10-11,23H,8-9H2,1H3;2*2-7,10,23H,8-9H2,1H3/t;;;2*11-;2*10-/m...1010/s1.

What are the key properties of 3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?

3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 2616.27 g/mol, XLogP of 27.40, 32 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 158881946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).