1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one

C115H89F22N13O20 — CID 159990457

IUPAC1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one
SMILESCC(F)(F)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.Cn1c(=O)n(CC(C)(F)F)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc21.O=C1CCCN1CCCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.O=C1OCCN1CCCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1CCc1ncccn1.O=c1oc2ncc(-c3ccc(OC(F)(F)F)cc3)cc2n1Cc1ccccc1
InChIInChI=1S/C21H19F3N2O4.C20H14F3N3O3.C20H17F3N2O5.C20H13F3N2O3.C18H15F5N2O2.C16H11F5N2O3/c22-21(23,24)30-16-7-4-14(5-8-16)15-6-9-18-17(13-15)26(20(28)29-18)12-2-11-25-10-1-3-19(25)27;21-20(22,23)29-15-5-2-13(3-6-15)14-4-7-17-16(12-14)26(19(27)28-17)11-8-18-24-9-1-10-25-18;21-20(22,23)30-15-5-2-13(3-6-15)14-4-7-17-16(12-14)25(19(27)29-17)9-1-8-24-10-11-28-18(24)26;21-20(22,23)28-16-8-6-14(7-9-16)15-10-17-18(24-11-15)27-19(26)25(17)12-13-4-2-1-3-5-13;1-17(19,20)10-25-15-9-12(5-8-14(15)24(2)16(25)26)11-3-6-13(7-4-11)27-18(21,22)23;1-15(17,18)8-23-13-12(25-14(23)24)7-6-11(22-13)9-2-4-10(5-3-9)26-16(19,20)21/h4-9,13H,1-3,10-12H2;1-7,9-10,12H,8,11H2;2-7,12H,1,8-11H2;1-11H,12H2;3-9H,10H2,1-2H3;2-7H,8H2,1H3
InChIKeyOGWPRFOZZDEZNX-UHFFFAOYSA-N
MW2391.00 g/mol
LogP25.74
Rot. Bonds29

About 1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one

1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one (PubChem CID 159990457) has the molecular formula C115H89F22N13O20 and a molecular weight of 2391.00 g/mol. Its IUPAC name is 1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one
PubChem CID159990457
Molecular FormulaC115H89F22N13O20
Molecular Weight2391.00 g/mol
Exact Mass2389.60
IUPAC Name1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one
SMILESCC(F)(F)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.Cn1c(=O)n(CC(C)(F)F)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc21.O=C1CCCN1CCCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.O=C1OCCN1CCCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1CCc1ncccn1.O=c1oc2ncc(-c3ccc(OC(F)(F)F)cc3)cc2n1Cc1ccccc1
InChIInChI=1S/C21H19F3N2O4.C20H14F3N3O3.C20H17F3N2O5.C20H13F3N2O3.C18H15F5N2O2.C16H11F5N2O3/c22-21(23,24)30-16-7-4-14(5-8-16)15-6-9-18-17(13-15)26(20(28)29-18)12-2-11-25-10-1-3-19(25)27;21-20(22,23)29-15-5-2-13(3-6-15)14-4-7-17-16(12-14)26(19(27)28-17)11-8-18-24-9-1-10-25-18;21-20(22,23)30-15-5-2-13(3-6-15)14-4-7-17-16(12-14)25(19(27)29-17)9-1-8-24-10-11-28-18(24)26;21-20(22,23)28-16-8-6-14(7-9-16)15-10-17-18(24-11-15)27-19(26)25(17)12-13-4-2-1-3-5-13;1-17(19,20)10-25-15-9-12(5-8-14(15)24(2)16(25)26)11-3-6-13(7-4-11)27-18(21,22)23;1-15(17,18)8-23-13-12(25-14(23)24)7-6-11(22-13)9-2-4-10(5-3-9)26-16(19,20)21/h4-9,13H,1-3,10-12H2;1-7,9-10,12H,8,11H2;2-7,12H,1,8-11H2;1-11H,12H2;3-9H,10H2,1-2H3;2-7H,8H2,1H3
InChIKeyOGWPRFOZZDEZNX-UHFFFAOYSA-N
XLogP25.74
TPSA359.42 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds29
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002391.00
LogP ≤ 525.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one?
The IUPAC name of 1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one (CID 159990457) is 1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one is CC(F)(F)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.Cn1c(=O)n(CC(C)(F)F)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc21.O=C1CCCN1CCCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.O=C1OCCN1CCCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1CCc1ncccn1.O=c1oc2ncc(-c3ccc(OC(F)(F)F)cc3)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one?
The InChIKey is OGWPRFOZZDEZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O4.C20H14F3N3O3.C20H17F3N2O5.C20H13F3N2O3.C18H15F5N2O2.C16H11F5N2O3/c22-21(23,24)30-16-7-4-14(5-8-16)15-6-9-18-17(13-15)26(20(28)29-18)12-2-11-25-10-1-3-19(25)27;21-20(22,23)29-15-5-2-13(3-6-15)14-4-7-17-16(12-14)26(19(27)28-17)11-8-18-24-9-1-10-25-18;21-20(22,23)30-15-5-2-13(3-6-15)14-4-7-17-16(12-14)25(19(27)29-17)9-1-8-24-10-11-28-18(24)26;21-20(22,23)28-16-8-6-14(7-9-16)15-10-17-18(24-11-15)27-19(26)25(17)12-13-4-2-1-3-5-13;1-17(19,20)10-25-15-9-12(5-8-14(15)24(2)16(25)26)11-3-6-13(7-4-11)27-18(21,22)23;1-15(17,18)8-23-13-12(25-14(23)24)7-6-11(22-13)9-2-4-10(5-3-9)26-16(19,20)21/h4-9,13H,1-3,10-12H2;1-7,9-10,12H,8,11H2;2-7,12H,1,8-11H2;1-11H,12H2;3-9H,10H2,1-2H3;2-7H,8H2,1H3.
What are the key properties of 1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one?
1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one has a molecular weight of 2391.00 g/mol, XLogP of 25.74, 29 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 159990457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).