N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-fluoro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;bis(N-(3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine);N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine

C140H117Cl3F5N31O17S — CID 159421674

About N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-fluoro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;bis(N-(3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine);N-[4-methyl-3-(trifluoromethyl)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-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-fluoro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;bis(N-(3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine);N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 159421674) has the molecular formula C140H117Cl3F5N31O17S and a molecular weight of 2739.09 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-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-fluoro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;bis(N-(3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine);N-[4-methyl-3-(trifluoromethyl)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-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-fluoro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;bis(N-(3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine);N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
• PubChem CID: 159421674
• Molecular Formula: C140H117Cl3F5N31O17S
• Molecular Weight: 2739.09 g/mol
• Exact Mass: 2735.80
• IUPAC Name: N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-fluoro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;bis(N-(3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine);N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
• SMILES: CC(C)(C)c1ccc(S(=O)(=O)n2ccc(Nc3noc4cccnc34)c2)cc1.CC(F)Oc1cccc(Nc2noc3cccnc23)c1.COc1cc(Nc2noc3cccnc23)ccc1Cl.COc1ccc(Nc2noc3cccnc23)cc1Cl.COc1ccc(Nc2noc3cccnc23)cc1OC.Cc1cc(Nc2noc3cccnc23)ccc1Cl.Cc1cc(Nc2noc3cccnc23)ccc1F.Cc1ccc(Nc2noc3cccnc23)cc1C(F)(F)F.Cc1cccc(Nc2noc3cccnc23)c1.Cc1cccc(Nc2noc3cccnc23)c1
• InChI: InChI=1S/C20H20N4O3S.C14H10F3N3O.C14H12FN3O2.C14H13N3O3.2C13H10ClN3O2.C13H10ClN3O.C13H10FN3O.2C13H11N3O/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;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(15)19-11-5-2-4-10(8-11)17-14-13-12(20-18-14)6-3-7-16-13;1-18-10-6-5-9(8-12(10)19-2)16-14-13-11(20-17-14)4-3-7-15-13;1-18-10-5-4-8(7-9(10)14)16-13-12-11(19-17-13)3-2-6-15-12;1-18-11-7-8(4-5-9(11)14)16-13-12-10(19-17-13)3-2-6-15-12;2*1-8-7-9(4-5-10(8)14)16-13-12-11(18-17-13)3-2-6-15-12;2*1-9-4-2-5-10(8-9)15-13-12-11(17-16-13)6-3-7-14-12/h4-13H,1-3H3,(H,22,23);2-7H,1H3,(H,19,20);2-9H,1H3,(H,17,18);3-8H,1-2H3,(H,16,17);2*2-7H,1H3,(H,16,17);2*2-7H,1H3,(H,16,17);2*2-8H,1H3,(H,15,16)
• InChIKey: LPVMCSIPZGNGHS-UHFFFAOYSA-N
• XLogP: 36.39
• TPSA: 594.72 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 48
• Rotatable Bonds: 28
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2739.09
LogP ≤ 5	36.39
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	48

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-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-fluoro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;bis(N-(3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine);N-[4-methyl-3-(trifluoromethyl)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-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-fluoro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;bis(N-(3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine);N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 159421674) is N-[1-(4-tert-butylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-chloro-4-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-fluoro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;bis(N-(3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine);N-[4-methyl-3-(trifluoromethyl)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-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-fluoro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;bis(N-(3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine);N-[4-methyl-3-(trifluoromethyl)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-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-fluoro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;bis(N-(3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine);N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is CC(C)(C)c1ccc(S(=O)(=O)n2ccc(Nc3noc4cccnc34)c2)cc1.CC(F)Oc1cccc(Nc2noc3cccnc23)c1.COc1cc(Nc2noc3cccnc23)ccc1Cl.COc1ccc(Nc2noc3cccnc23)cc1Cl.COc1ccc(Nc2noc3cccnc23)cc1OC.Cc1cc(Nc2noc3cccnc23)ccc1Cl.Cc1cc(Nc2noc3cccnc23)ccc1F.Cc1ccc(Nc2noc3cccnc23)cc1C(F)(F)F.Cc1cccc(Nc2noc3cccnc23)c1.Cc1cccc(Nc2noc3cccnc23)c1.

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-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-fluoro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;bis(N-(3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine);N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?

The InChIKey is LPVMCSIPZGNGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S.C14H10F3N3O.C14H12FN3O2.C14H13N3O3.2C13H10ClN3O2.C13H10ClN3O.C13H10FN3O.2C13H11N3O/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;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(15)19-11-5-2-4-10(8-11)17-14-13-12(20-18-14)6-3-7-16-13;1-18-10-6-5-9(8-12(10)19-2)16-14-13-11(20-17-14)4-3-7-15-13;1-18-10-5-4-8(7-9(10)14)16-13-12-11(19-17-13)3-2-6-15-12;1-18-11-7-8(4-5-9(11)14)16-13-12-10(19-17-13)3-2-6-15-12;2*1-8-7-9(4-5-10(8)14)16-13-12-11(18-17-13)3-2-6-15-12;2*1-9-4-2-5-10(8-9)15-13-12-11(17-16-13)6-3-7-14-12/h4-13H,1-3H3,(H,22,23);2-7H,1H3,(H,19,20);2-9H,1H3,(H,17,18);3-8H,1-2H3,(H,16,17);2*2-7H,1H3,(H,16,17);2*2-7H,1H3,(H,16,17);2*2-8H,1H3,(H,15,16).

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-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-fluoro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;bis(N-(3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine);N-[4-methyl-3-(trifluoromethyl)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-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-fluoro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;bis(N-(3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine);N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 2739.09 g/mol, XLogP of 36.39, 28 rotatable bonds, 10 hydrogen bond donors, and 48 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-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-chloro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(4-fluoro-3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;bis(N-(3-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine);N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 159421674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).