[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1,1-dioxothian-4-yl)methanone;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1-oxothian-4-yl)methanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;4-[3-[methoxy(thian-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole

C67H72N12O10S3 — CID 157271379

About [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1,1-dioxothian-4-yl)methanone;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1-oxothian-4-yl)methanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;4-[3-[methoxy(thian-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole

[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1,1-dioxothian-4-yl)methanone;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1-oxothian-4-yl)methanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;4-[3-[methoxy(thian-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 157271379) has the molecular formula C67H72N12O10S3 and a molecular weight of 1301.59 g/mol. Its IUPAC name is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1,1-dioxothian-4-yl)methanone;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1-oxothian-4-yl)methanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;4-[3-[methoxy(thian-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1,1-dioxothian-4-yl)methanone;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1-oxothian-4-yl)methanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;4-[3-[methoxy(thian-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 157271379
• Molecular Formula: C67H72N12O10S3
• Molecular Weight: 1301.59 g/mol
• Exact Mass: 1300.47
• IUPAC Name: [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1,1-dioxothian-4-yl)methanone;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1-oxothian-4-yl)methanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;4-[3-[methoxy(thian-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: COC(c1c[nH]c2ncc(-c3c(C)noc3C)cc12)C1CCSCC1.Cc1noc(C)c1-c1cnc2[nH]cc(C(=O)C3CCS(=O)(=O)CC3)c2c1.Cc1noc(C)c1-c1cnc2[nH]cc(C(=O)C3CCS(=O)CC3)c2c1.Cc1noc(C)c1-c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C19H23N3O2S.C18H19N3O4S.C18H19N3O3S.C12H11N3O/c1-11-17(12(2)24-22-11)14-8-15-16(10-21-19(15)20-9-14)18(23-3)13-4-6-25-7-5-13;1-10-16(11(2)25-21-10)13-7-14-15(9-20-18(14)19-8-13)17(22)12-3-5-26(23,24)6-4-12;1-10-16(11(2)24-21-10)13-7-14-15(9-20-18(14)19-8-13)17(22)12-3-5-25(23)6-4-12;1-7-11(8(2)16-15-7)10-5-9-3-4-13-12(9)14-6-10/h8-10,13,18H,4-7H2,1-3H3,(H,20,21);7-9,12H,3-6H2,1-2H3,(H,19,20);7-9,12H,3-6H2,1-2H3,(H,19,20);3-6H,1-2H3,(H,13,14)
• InChIKey: AYOSHJGYAYYYKI-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 313.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1301.59
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1,1-dioxothian-4-yl)methanone;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1-oxothian-4-yl)methanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;4-[3-[methoxy(thian-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1,1-dioxothian-4-yl)methanone;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1-oxothian-4-yl)methanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;4-[3-[methoxy(thian-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole (CID 157271379) is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1,1-dioxothian-4-yl)methanone;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1-oxothian-4-yl)methanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;4-[3-[methoxy(thian-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1,1-dioxothian-4-yl)methanone;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1-oxothian-4-yl)methanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;4-[3-[methoxy(thian-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1,1-dioxothian-4-yl)methanone;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1-oxothian-4-yl)methanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;4-[3-[methoxy(thian-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole is COC(c1c[nH]c2ncc(-c3c(C)noc3C)cc12)C1CCSCC1.Cc1noc(C)c1-c1cnc2[nH]cc(C(=O)C3CCS(=O)(=O)CC3)c2c1.Cc1noc(C)c1-c1cnc2[nH]cc(C(=O)C3CCS(=O)CC3)c2c1.Cc1noc(C)c1-c1cnc2[nH]ccc2c1.

What is the InChIKey of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1,1-dioxothian-4-yl)methanone;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1-oxothian-4-yl)methanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;4-[3-[methoxy(thian-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is AYOSHJGYAYYYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S.C18H19N3O4S.C18H19N3O3S.C12H11N3O/c1-11-17(12(2)24-22-11)14-8-15-16(10-21-19(15)20-9-14)18(23-3)13-4-6-25-7-5-13;1-10-16(11(2)25-21-10)13-7-14-15(9-20-18(14)19-8-13)17(22)12-3-5-26(23,24)6-4-12;1-10-16(11(2)24-21-10)13-7-14-15(9-20-18(14)19-8-13)17(22)12-3-5-25(23)6-4-12;1-7-11(8(2)16-15-7)10-5-9-3-4-13-12(9)14-6-10/h8-10,13,18H,4-7H2,1-3H3,(H,20,21);7-9,12H,3-6H2,1-2H3,(H,19,20);7-9,12H,3-6H2,1-2H3,(H,19,20);3-6H,1-2H3,(H,13,14).

What are the key properties of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1,1-dioxothian-4-yl)methanone;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1-oxothian-4-yl)methanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;4-[3-[methoxy(thian-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?

[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1,1-dioxothian-4-yl)methanone;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1-oxothian-4-yl)methanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;4-[3-[methoxy(thian-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1301.59 g/mol, XLogP of 13.52, 11 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1,1-dioxothian-4-yl)methanone;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(1-oxothian-4-yl)methanone;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;4-[3-[methoxy(thian-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 157271379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).