1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate

C80H51N19O15S5 — CID 158286627

About 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate

1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate (PubChem CID 158286627) has the molecular formula C80H51N19O15S5 and a molecular weight of 1678.74 g/mol. Its IUPAC name is 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate
• PubChem CID: 158286627
• Molecular Formula: C80H51N19O15S5
• Molecular Weight: 1678.74 g/mol
• Exact Mass: 1677.24
• IUPAC Name: 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate
• SMILES: COC(=O)c1cccc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1.COC(=O)c1nc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)no1.COC(=O)c1nnc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)o1.Cc1nc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)no1.O=C(c1nc(-c2ncon2)cs1)c1c[nH]c2ccccc12
• InChI: InChI=1S/C19H13N3O3S.2C16H10N4O4S.C15H10N4O2S.C14H8N4O2S/c1-25-19(24)15-8-4-7-14(21-15)16-10-26-18(22-16)17(23)12-9-20-13-6-3-2-5-11(12)13;1-23-16(22)14-20-19-13(24-14)11-7-25-15(18-11)12(21)9-6-17-10-5-3-2-4-8(9)10;1-23-16(22)14-19-13(20-24-14)11-7-25-15(18-11)12(21)9-6-17-10-5-3-2-4-8(9)10;1-8-17-14(19-21-8)12-7-22-15(18-12)13(20)10-6-16-11-5-3-2-4-9(10)11;19-12(9-5-15-10-4-2-1-3-8(9)10)14-17-11(6-21-14)13-16-7-20-18-13/h2-10,20H,1H3;2*2-7,17H,1H3;2-7,16H,1H3;1-7,15H
• InChIKey: GKVWZNZTTSALTR-UHFFFAOYSA-N
• XLogP: 15.21
• TPSA: 476.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1678.74
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate?

The IUPAC name of 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate (CID 158286627) is 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate.

What is the SMILES notation for 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate?

The canonical SMILES for 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1.COC(=O)c1nc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)no1.COC(=O)c1nnc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)o1.Cc1nc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)no1.O=C(c1nc(-c2ncon2)cs1)c1c[nH]c2ccccc12.

What is the InChIKey of 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate?

The InChIKey is GKVWZNZTTSALTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S.2C16H10N4O4S.C15H10N4O2S.C14H8N4O2S/c1-25-19(24)15-8-4-7-14(21-15)16-10-26-18(22-16)17(23)12-9-20-13-6-3-2-5-11(12)13;1-23-16(22)14-20-19-13(24-14)11-7-25-15(18-11)12(21)9-6-17-10-5-3-2-4-8(9)10;1-23-16(22)14-19-13(20-24-14)11-7-25-15(18-11)12(21)9-6-17-10-5-3-2-4-8(9)10;1-8-17-14(19-21-8)12-7-22-15(18-12)13(20)10-6-16-11-5-3-2-4-9(10)11;19-12(9-5-15-10-4-2-1-3-8(9)10)14-17-11(6-21-14)13-16-7-20-18-13/h2-10,20H,1H3;2*2-7,17H,1H3;2-7,16H,1H3;1-7,15H.

What are the key properties of 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate?

1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate has a molecular weight of 1678.74 g/mol, XLogP of 15.21, 18 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate is sourced from PubChem (CID 158286627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).