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-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[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-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine

C83H66Cl3F2N19O11S — CID 159042984

About 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-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[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-methylphenyl)-[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-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[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-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 159042984) has the molecular formula C83H66Cl3F2N19O11S and a molecular weight of 1681.98 g/mol. Its IUPAC name is 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-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[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-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 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-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[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-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
• PubChem CID: 159042984
• Molecular Formula: C83H66Cl3F2N19O11S
• Molecular Weight: 1681.98 g/mol
• Exact Mass: 1679.39
• IUPAC Name: 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-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[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-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
• SMILES: CC(F)Oc1cccc(Nc2noc3cccnc23)c1.COc1cc(Nc2noc3cccnc23)ccc1Cl.COc1ccc(Nc2noc3cccnc23)cc1Cl.Cc1ccc(Nc2noc3cccnc23)cc1F.Cc1cccc(Nc2noc3cccnc23)c1.O=S(=O)(Cc1ccccc1Cl)n1ccc(Nc2noc3cccnc23)c1
• InChI: InChI=1S/C17H13ClN4O3S.C14H12FN3O2.2C13H10ClN3O2.C13H10FN3O.C13H11N3O/c18-14-5-2-1-4-12(14)11-26(23,24)22-9-7-13(10-22)20-17-16-15(25-21-17)6-3-8-19-16;1-9(15)19-11-5-2-4-10(8-11)17-14-13-12(20-18-14)6-3-7-16-13;1-18-10-5-4-8(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;1-8-4-5-9(7-10(8)14)16-13-12-11(18-17-13)3-2-6-15-12;1-9-4-2-5-10(8-9)15-13-12-11(17-16-13)6-3-7-14-12/h1-10H,11H2,(H,20,21);2-9H,1H3,(H,17,18);2*2-7H,1H3,(H,16,17);2-7H,1H3,(H,16,17);2-8H,1H3,(H,15,16)
• InChIKey: JWHMJACCKAKOLP-UHFFFAOYSA-N
• XLogP: 21.41
• TPSA: 372.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1681.98
LogP ≤ 5	21.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 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-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[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-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?

The IUPAC name of 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-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[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-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 159042984) is 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-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[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-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.

What is the SMILES notation for 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-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[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-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?

The canonical SMILES for 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-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[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-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is CC(F)Oc1cccc(Nc2noc3cccnc23)c1.COc1cc(Nc2noc3cccnc23)ccc1Cl.COc1ccc(Nc2noc3cccnc23)cc1Cl.Cc1ccc(Nc2noc3cccnc23)cc1F.Cc1cccc(Nc2noc3cccnc23)c1.O=S(=O)(Cc1ccccc1Cl)n1ccc(Nc2noc3cccnc23)c1.

What is the InChIKey of 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-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[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-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?

The InChIKey is JWHMJACCKAKOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O3S.C14H12FN3O2.2C13H10ClN3O2.C13H10FN3O.C13H11N3O/c18-14-5-2-1-4-12(14)11-26(23,24)22-9-7-13(10-22)20-17-16-15(25-21-17)6-3-8-19-16;1-9(15)19-11-5-2-4-10(8-11)17-14-13-12(20-18-14)6-3-7-16-13;1-18-10-5-4-8(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;1-8-4-5-9(7-10(8)14)16-13-12-11(18-17-13)3-2-6-15-12;1-9-4-2-5-10(8-9)15-13-12-11(17-16-13)6-3-7-14-12/h1-10H,11H2,(H,20,21);2-9H,1H3,(H,17,18);2*2-7H,1H3,(H,16,17);2-7H,1H3,(H,16,17);2-8H,1H3,(H,15,16).

What are the key properties of 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-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[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-methylphenyl)-[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-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[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-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 1681.98 g/mol, XLogP of 21.41, 19 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[3-(1-fluoroethoxy)phenyl]-[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-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 159042984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).