N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-methoxy-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;1-[3-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]ethanone

C99H81F3N22O14S — CID 162215800

About N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-methoxy-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;1-[3-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]ethanone

N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-methoxy-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;1-[3-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]ethanone (PubChem CID 162215800) has the molecular formula C99H81F3N22O14S and a molecular weight of 1891.94 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-methoxy-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;1-[3-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]ethanone.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-methoxy-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;1-[3-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]ethanone
• PubChem CID: 162215800
• Molecular Formula: C99H81F3N22O14S
• Molecular Weight: 1891.94 g/mol
• Exact Mass: 1890.60
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-methoxy-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;1-[3-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]ethanone
• SMILES: CC(=O)c1cccc(Nc2noc3cccnc23)c1.CC(F)(F)Oc1cccc(Nc2noc3cccnc23)c1.COc1cc(Nc2noc3cccnc23)ccc1C.Cc1ccc(Nc2noc3cccnc23)cc1C.Cc1ccc(Nc2noc3cccnc23)cc1F.Cc1ccc(S(=O)(=O)n2ccc(Nc3noc4cccnc34)c2)cc1.c1cnc2c(Nc3ccc4c(c3)OCO4)noc2c1
• InChI: InChI=1S/C17H14N4O3S.C14H11F2N3O2.C14H13N3O2.C14H11N3O2.C14H13N3O.C13H10FN3O.C13H9N3O3/c1-12-4-6-14(7-5-12)25(22,23)21-10-8-13(11-21)19-17-16-15(24-20-17)3-2-9-18-16;1-14(15,16)20-10-5-2-4-9(8-10)18-13-12-11(21-19-13)6-3-7-17-12;1-9-5-6-10(8-12(9)18-2)16-14-13-11(19-17-14)4-3-7-15-13;1-9(18)10-4-2-5-11(8-10)16-14-13-12(19-17-14)6-3-7-15-13;1-9-5-6-11(8-10(9)2)16-14-13-12(18-17-14)4-3-7-15-13;1-8-4-5-9(7-10(8)14)16-13-12-11(18-17-13)3-2-6-15-12;1-2-10-12(14-5-1)13(16-19-10)15-8-3-4-9-11(6-8)18-7-17-9/h2-11H,1H3,(H,19,20);2-8H,1H3,(H,18,19);3-8H,1-2H3,(H,16,17);2-8H,1H3,(H,16,17);3-8H,1-2H3,(H,16,17);2-7H,1H3,(H,16,17);1-6H,7H2,(H,15,16)
• InChIKey: ZTLHDHSMOLRIAA-UHFFFAOYSA-N
• XLogP: 23.42
• TPSA: 449.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1891.94
LogP ≤ 5	23.42
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-methoxy-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;1-[3-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]ethanone?

The IUPAC name of N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-methoxy-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;1-[3-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]ethanone (CID 162215800) is N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-methoxy-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;1-[3-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]ethanone.

What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-methoxy-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;1-[3-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]ethanone?

The canonical SMILES for N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-methoxy-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;1-[3-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]ethanone is CC(=O)c1cccc(Nc2noc3cccnc23)c1.CC(F)(F)Oc1cccc(Nc2noc3cccnc23)c1.COc1cc(Nc2noc3cccnc23)ccc1C.Cc1ccc(Nc2noc3cccnc23)cc1C.Cc1ccc(Nc2noc3cccnc23)cc1F.Cc1ccc(S(=O)(=O)n2ccc(Nc3noc4cccnc34)c2)cc1.c1cnc2c(Nc3ccc4c(c3)OCO4)noc2c1.

What is the InChIKey of N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-methoxy-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;1-[3-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]ethanone?

The InChIKey is ZTLHDHSMOLRIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S.C14H11F2N3O2.C14H13N3O2.C14H11N3O2.C14H13N3O.C13H10FN3O.C13H9N3O3/c1-12-4-6-14(7-5-12)25(22,23)21-10-8-13(11-21)19-17-16-15(24-20-17)3-2-9-18-16;1-14(15,16)20-10-5-2-4-9(8-10)18-13-12-11(21-19-13)6-3-7-17-12;1-9-5-6-10(8-12(9)18-2)16-14-13-11(19-17-14)4-3-7-15-13;1-9(18)10-4-2-5-11(8-10)16-14-13-12(19-17-14)6-3-7-15-13;1-9-5-6-11(8-10(9)2)16-14-13-12(18-17-14)4-3-7-15-13;1-8-4-5-9(7-10(8)14)16-13-12-11(18-17-13)3-2-6-15-12;1-2-10-12(14-5-1)13(16-19-10)15-8-3-4-9-11(6-8)18-7-17-9/h2-11H,1H3,(H,19,20);2-8H,1H3,(H,18,19);3-8H,1-2H3,(H,16,17);2-8H,1H3,(H,16,17);3-8H,1-2H3,(H,16,17);2-7H,1H3,(H,16,17);1-6H,7H2,(H,15,16).

What are the key properties of N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-methoxy-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;1-[3-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]ethanone?

N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-methoxy-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;1-[3-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]ethanone has a molecular weight of 1891.94 g/mol, XLogP of 23.42, 20 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-methoxy-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;1-[3-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]ethanone is sourced from PubChem (CID 162215800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).