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-[3-(1,1-difluoroethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;4-methoxy-N-(3-methylphenyl)-1,2-benzoxazol-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

C103H85ClF6N22O10S — CID 161205652

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-[3-(1,1-difluoroethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;4-methoxy-N-(3-methylphenyl)-1,2-benzoxazol-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-[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-[3-(1,1-difluoroethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;4-methoxy-N-(3-methylphenyl)-1,2-benzoxazol-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 (PubChem CID 161205652) has the molecular formula C103H85ClF6N22O10S and a molecular weight of 1972.46 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-[3-(1,1-difluoroethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;4-methoxy-N-(3-methylphenyl)-1,2-benzoxazol-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.

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-[3-(1,1-difluoroethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;4-methoxy-N-(3-methylphenyl)-1,2-benzoxazol-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
• PubChem CID: 161205652
• Molecular Formula: C103H85ClF6N22O10S
• Molecular Weight: 1972.46 g/mol
• Exact Mass: 1970.61
• 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-[3-(1,1-difluoroethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;4-methoxy-N-(3-methylphenyl)-1,2-benzoxazol-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
• SMILES: CC(C)(C)c1ccc(S(=O)(=O)n2ccc(Nc3noc4cccnc34)c2)cc1.CC(F)(F)c1cccc(Nc2noc3ncccc23)c1.COc1cccc2onc(Nc3cccc(C)c3)c12.Cc1cc(C#N)cc(Nc2noc3cccnc23)c1.Cc1ccc(Nc2noc3cccnc23)cc1C(F)(F)F.Cc1ccc(Nc2noc3cccnc23)cc1Cl.Cc1ccc(Nc2noc3cccnc23)cc1F
• InChI: InChI=1S/C20H20N4O3S.C15H14N2O2.C14H10F3N3O.C14H11F2N3O.C14H10N4O.C13H10ClN3O.C13H10FN3O/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;1-10-5-3-6-11(9-10)16-15-14-12(18-2)7-4-8-13(14)19-17-15;1-8-4-5-9(7-10(8)14(15,16)17)19-13-12-11(21-20-13)3-2-6-18-12;1-14(15,16)9-4-2-5-10(8-9)18-12-11-6-3-7-17-13(11)20-19-12;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/h4-13H,1-3H3,(H,22,23);3-9H,1-2H3,(H,16,17);2-7H,1H3,(H,19,20);2-8H,1H3,(H,18,19);2-7H,1H3,(H,17,18);2*2-7H,1H3,(H,16,17)
• InChIKey: UVOFDIJFBSWMMY-UHFFFAOYSA-N
• XLogP: 27.05
• TPSA: 415.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1972.46
LogP ≤ 5	27.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

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-[3-(1,1-difluoroethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;4-methoxy-N-(3-methylphenyl)-1,2-benzoxazol-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?

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-[3-(1,1-difluoroethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;4-methoxy-N-(3-methylphenyl)-1,2-benzoxazol-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 (CID 161205652) 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-[3-(1,1-difluoroethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;4-methoxy-N-(3-methylphenyl)-1,2-benzoxazol-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.

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-[3-(1,1-difluoroethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;4-methoxy-N-(3-methylphenyl)-1,2-benzoxazol-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?

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-[3-(1,1-difluoroethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;4-methoxy-N-(3-methylphenyl)-1,2-benzoxazol-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 is CC(C)(C)c1ccc(S(=O)(=O)n2ccc(Nc3noc4cccnc34)c2)cc1.CC(F)(F)c1cccc(Nc2noc3ncccc23)c1.COc1cccc2onc(Nc3cccc(C)c3)c12.Cc1cc(C#N)cc(Nc2noc3cccnc23)c1.Cc1ccc(Nc2noc3cccnc23)cc1C(F)(F)F.Cc1ccc(Nc2noc3cccnc23)cc1Cl.Cc1ccc(Nc2noc3cccnc23)cc1F.

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-[3-(1,1-difluoroethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;4-methoxy-N-(3-methylphenyl)-1,2-benzoxazol-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?

The InChIKey is UVOFDIJFBSWMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S.C15H14N2O2.C14H10F3N3O.C14H11F2N3O.C14H10N4O.C13H10ClN3O.C13H10FN3O/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;1-10-5-3-6-11(9-10)16-15-14-12(18-2)7-4-8-13(14)19-17-15;1-8-4-5-9(7-10(8)14(15,16)17)19-13-12-11(21-20-13)3-2-6-18-12;1-14(15,16)9-4-2-5-10(8-9)18-12-11-6-3-7-17-13(11)20-19-12;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/h4-13H,1-3H3,(H,22,23);3-9H,1-2H3,(H,16,17);2-7H,1H3,(H,19,20);2-8H,1H3,(H,18,19);2-7H,1H3,(H,17,18);2*2-7H,1H3,(H,16,17).

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-[3-(1,1-difluoroethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;4-methoxy-N-(3-methylphenyl)-1,2-benzoxazol-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-[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-[3-(1,1-difluoroethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;4-methoxy-N-(3-methylphenyl)-1,2-benzoxazol-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 has a molecular weight of 1972.46 g/mol, XLogP of 27.05, 18 rotatable bonds, 7 hydrogen bond donors, and 32 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-[3-(1,1-difluoroethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;4-methoxy-N-(3-methylphenyl)-1,2-benzoxazol-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 is sourced from PubChem (CID 161205652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).