N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;3-methyl-5-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)benzonitrile;N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-phenyl-[1,2]oxazolo[4,5-b]pyridin-3-amine

C103H82Cl2F4N24O11S2 — CID 159294544

About N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;3-methyl-5-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)benzonitrile;N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-phenyl-[1,2]oxazolo[4,5-b]pyridin-3-amine

N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;3-methyl-5-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)benzonitrile;N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-phenyl-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 159294544) has the molecular formula C103H82Cl2F4N24O11S2 and a molecular weight of 2042.98 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;3-methyl-5-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)benzonitrile;N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-phenyl-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

• Compound Name: N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;3-methyl-5-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)benzonitrile;N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-phenyl-[1,2]oxazolo[4,5-b]pyridin-3-amine
• PubChem CID: 159294544
• Molecular Formula: C103H82Cl2F4N24O11S2
• Molecular Weight: 2042.98 g/mol
• Exact Mass: 2040.53
• IUPAC Name: N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;3-methyl-5-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)benzonitrile;N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-phenyl-[1,2]oxazolo[4,5-b]pyridin-3-amine
• SMILES: CC(C)(C)c1ccc(S(=O)(=O)n2ccc(Nc3noc4cccnc34)c2)cc1.Cc1cc(C#N)cc(Nc2noc3cccnc23)c1.Cc1ccc(Nc2noc3cccnc23)cc1C(F)(F)F.Cc1ccc(Nc2noc3cccnc23)cc1Cl.Cc1ccc(Nc2noc3cccnc23)cc1F.O=S(=O)(Cc1ccccc1Cl)n1ccc(Nc2noc3cccnc23)c1.c1ccc(Nc2noc3cccnc23)cc1
• InChI: InChI=1S/C20H20N4O3S.C17H13ClN4O3S.C14H10F3N3O.C14H10N4O.C13H10ClN3O.C13H10FN3O.C12H9N3O/c1-20(2,3)14-6-8-16(9-7-14)28(25,26)24-12-10-15(13-24)22-19-18-17(27-23-19)5-4-11-21-18;18-14-5-2-1-4-12(14)11-26(23,24)22-9-7-13(10-22)20-17-16-15(25-21-17)6-3-8-19-16;1-8-4-5-9(7-10(8)14(15,16)17)19-13-12-11(21-20-13)3-2-6-18-12;1-9-5-10(8-15)7-11(6-9)17-14-13-12(19-18-14)3-2-4-16-13;2*1-8-4-5-9(7-10(8)14)16-13-12-11(18-17-13)3-2-6-15-12;1-2-5-9(6-3-1)14-12-11-10(16-15-12)7-4-8-13-11/h4-13H,1-3H3,(H,22,23);1-10H,11H2,(H,20,21);2-7H,1H3,(H,19,20);2-7H,1H3,(H,17,18);2*2-7H,1H3,(H,16,17);1-8H,(H,14,15)
• InChIKey: LANVERJTRUAOAE-UHFFFAOYSA-N
• XLogP: 25.85
• TPSA: 458.58 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 19
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2042.98
LogP ≤ 5	25.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;3-methyl-5-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)benzonitrile;N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-phenyl-[1,2]oxazolo[4,5-b]pyridin-3-amine?

The IUPAC name of N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;3-methyl-5-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)benzonitrile;N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-phenyl-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 159294544) is N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;3-methyl-5-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)benzonitrile;N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-phenyl-[1,2]oxazolo[4,5-b]pyridin-3-amine.

What is the SMILES notation for N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;3-methyl-5-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)benzonitrile;N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-phenyl-[1,2]oxazolo[4,5-b]pyridin-3-amine?

The canonical SMILES for N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;3-methyl-5-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)benzonitrile;N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-phenyl-[1,2]oxazolo[4,5-b]pyridin-3-amine is CC(C)(C)c1ccc(S(=O)(=O)n2ccc(Nc3noc4cccnc34)c2)cc1.Cc1cc(C#N)cc(Nc2noc3cccnc23)c1.Cc1ccc(Nc2noc3cccnc23)cc1C(F)(F)F.Cc1ccc(Nc2noc3cccnc23)cc1Cl.Cc1ccc(Nc2noc3cccnc23)cc1F.O=S(=O)(Cc1ccccc1Cl)n1ccc(Nc2noc3cccnc23)c1.c1ccc(Nc2noc3cccnc23)cc1.

What is the InChIKey of N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;3-methyl-5-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)benzonitrile;N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-phenyl-[1,2]oxazolo[4,5-b]pyridin-3-amine?

The InChIKey is LANVERJTRUAOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S.C17H13ClN4O3S.C14H10F3N3O.C14H10N4O.C13H10ClN3O.C13H10FN3O.C12H9N3O/c1-20(2,3)14-6-8-16(9-7-14)28(25,26)24-12-10-15(13-24)22-19-18-17(27-23-19)5-4-11-21-18;18-14-5-2-1-4-12(14)11-26(23,24)22-9-7-13(10-22)20-17-16-15(25-21-17)6-3-8-19-16;1-8-4-5-9(7-10(8)14(15,16)17)19-13-12-11(21-20-13)3-2-6-18-12;1-9-5-10(8-15)7-11(6-9)17-14-13-12(19-18-14)3-2-4-16-13;2*1-8-4-5-9(7-10(8)14)16-13-12-11(18-17-13)3-2-6-15-12;1-2-5-9(6-3-1)14-12-11-10(16-15-12)7-4-8-13-11/h4-13H,1-3H3,(H,22,23);1-10H,11H2,(H,20,21);2-7H,1H3,(H,19,20);2-7H,1H3,(H,17,18);2*2-7H,1H3,(H,16,17);1-8H,(H,14,15).

What are the key properties of N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;3-methyl-5-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)benzonitrile;N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-phenyl-[1,2]oxazolo[4,5-b]pyridin-3-amine?

N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;3-methyl-5-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)benzonitrile;N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-phenyl-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 2042.98 g/mol, XLogP of 25.85, 19 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;3-methyl-5-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)benzonitrile;N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-phenyl-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 159294544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).