methyl 5-(1H-indole-3-carbonyl)-1,3,4-oxadiazole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate

C97H75N21O26S6 — CID 159945271

About methyl 5-(1H-indole-3-carbonyl)-1,3,4-oxadiazole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate

methyl 5-(1H-indole-3-carbonyl)-1,3,4-oxadiazole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate (PubChem CID 159945271) has the molecular formula C97H75N21O26S6 and a molecular weight of 2143.19 g/mol. Its IUPAC name is methyl 5-(1H-indole-3-carbonyl)-1,3,4-oxadiazole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate.

Molecular Properties

• Compound Name: methyl 5-(1H-indole-3-carbonyl)-1,3,4-oxadiazole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate
• PubChem CID: 159945271
• Molecular Formula: C97H75N21O26S6
• Molecular Weight: 2143.19 g/mol
• Exact Mass: 2141.35
• IUPAC Name: methyl 5-(1H-indole-3-carbonyl)-1,3,4-oxadiazole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate
• SMILES: COC(=O)c1nnc(C(=O)c2c[nH]c3ccc(OC)cc23)s1.COC(=O)c1nnc(C(=O)c2c[nH]c3ccccc23)o1.COC(=O)c1nnc(C(=O)c2c[nH]c3ccccc23)s1.COC(=O)c1nnc(C(=O)c2cn(C)c3ccc(OC)cc23)s1.COC(=O)c1nsc(C(=O)c2c[nH]c3ccc(OC)cc23)n1.COC(=O)c1nsc(C(=O)c2c[nH]c3ccccc23)n1.COC(=O)c1nsc(C(=O)c2cn(C)c3ccc(OC)cc23)n1
• InChI: InChI=1S/2C15H13N3O4S.2C14H11N3O4S.C13H9N3O4.2C13H9N3O3S/c1-18-7-10(9-6-8(21-2)4-5-11(9)18)12(19)14-16-13(17-23-14)15(20)22-3;1-18-7-10(9-6-8(21-2)4-5-11(9)18)12(19)13-16-17-14(23-13)15(20)22-3;1-20-7-3-4-10-8(5-7)9(6-15-10)11(18)13-16-12(17-22-13)14(19)21-2;1-20-7-3-4-10-8(5-7)9(6-15-10)11(18)12-16-17-13(22-12)14(19)21-2;1-19-13(18)12-16-15-11(20-12)10(17)8-6-14-9-5-3-2-4-7(8)9;1-19-13(18)11-15-12(20-16-11)10(17)8-6-14-9-5-3-2-4-7(8)9;1-19-13(18)12-16-15-11(20-12)10(17)8-6-14-9-5-3-2-4-7(8)9/h2*4-7H,1-3H3;2*3-6,15H,1-2H3;3*2-6,14H,1H3
• InChIKey: OBKBCOWUHJLPLV-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 622.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 48
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2143.19
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1H-indole-3-carbonyl)-1,3,4-oxadiazole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate?

The IUPAC name of methyl 5-(1H-indole-3-carbonyl)-1,3,4-oxadiazole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate (CID 159945271) is methyl 5-(1H-indole-3-carbonyl)-1,3,4-oxadiazole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate.

What is the SMILES notation for methyl 5-(1H-indole-3-carbonyl)-1,3,4-oxadiazole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate?

The canonical SMILES for methyl 5-(1H-indole-3-carbonyl)-1,3,4-oxadiazole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate is COC(=O)c1nnc(C(=O)c2c[nH]c3ccc(OC)cc23)s1.COC(=O)c1nnc(C(=O)c2c[nH]c3ccccc23)o1.COC(=O)c1nnc(C(=O)c2c[nH]c3ccccc23)s1.COC(=O)c1nnc(C(=O)c2cn(C)c3ccc(OC)cc23)s1.COC(=O)c1nsc(C(=O)c2c[nH]c3ccc(OC)cc23)n1.COC(=O)c1nsc(C(=O)c2c[nH]c3ccccc23)n1.COC(=O)c1nsc(C(=O)c2cn(C)c3ccc(OC)cc23)n1.

What is the InChIKey of methyl 5-(1H-indole-3-carbonyl)-1,3,4-oxadiazole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate?

The InChIKey is OBKBCOWUHJLPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H13N3O4S.2C14H11N3O4S.C13H9N3O4.2C13H9N3O3S/c1-18-7-10(9-6-8(21-2)4-5-11(9)18)12(19)14-16-13(17-23-14)15(20)22-3;1-18-7-10(9-6-8(21-2)4-5-11(9)18)12(19)13-16-17-14(23-13)15(20)22-3;1-20-7-3-4-10-8(5-7)9(6-15-10)11(18)13-16-12(17-22-13)14(19)21-2;1-20-7-3-4-10-8(5-7)9(6-15-10)11(18)12-16-17-13(22-12)14(19)21-2;1-19-13(18)12-16-15-11(20-12)10(17)8-6-14-9-5-3-2-4-7(8)9;1-19-13(18)11-15-12(20-16-11)10(17)8-6-14-9-5-3-2-4-7(8)9;1-19-13(18)12-16-15-11(20-12)10(17)8-6-14-9-5-3-2-4-7(8)9/h2*4-7H,1-3H3;2*3-6,15H,1-2H3;3*2-6,14H,1H3.

What are the key properties of methyl 5-(1H-indole-3-carbonyl)-1,3,4-oxadiazole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate?

methyl 5-(1H-indole-3-carbonyl)-1,3,4-oxadiazole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate has a molecular weight of 2143.19 g/mol, XLogP of 13.85, 25 rotatable bonds, 5 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-(1H-indole-3-carbonyl)-1,3,4-oxadiazole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate is sourced from PubChem (CID 159945271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).