1,3-benzoselenazole;1,3-benzothiazole;1,3-benzoxazole;3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;[1,3]selenazolo[4,5-b]pyridine;[1,3]selenazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine

C79H58N20O3S3Se3 — CID 159530631

About 1,3-benzoselenazole;1,3-benzothiazole;1,3-benzoxazole;3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;[1,3]selenazolo[4,5-b]pyridine;[1,3]selenazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine

1,3-benzoselenazole;1,3-benzothiazole;1,3-benzoxazole;3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;[1,3]selenazolo[4,5-b]pyridine;[1,3]selenazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine (PubChem CID 159530631) has the molecular formula C79H58N20O3S3Se3 and a molecular weight of 1668.55 g/mol. Its IUPAC name is 1,3-benzoselenazole;1,3-benzothiazole;1,3-benzoxazole;3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;[1,3]selenazolo[4,5-b]pyridine;[1,3]selenazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 1,3-benzoselenazole;1,3-benzothiazole;1,3-benzoxazole;3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;[1,3]selenazolo[4,5-b]pyridine;[1,3]selenazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine
• PubChem CID: 159530631
• Molecular Formula: C79H58N20O3S3Se3
• Molecular Weight: 1668.55 g/mol
• Exact Mass: 1670.17
• IUPAC Name: 1,3-benzoselenazole;1,3-benzothiazole;1,3-benzoxazole;3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;[1,3]selenazolo[4,5-b]pyridine;[1,3]selenazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine
• SMILES: C1=Nc2ccccc2C1.C1=Nc2cccnc2C1.C1=Nc2ncccc2C1.c1ccc2[se]cnc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cnc2[se]cnc2c1.c1cnc2nc[se]c2c1.c1cnc2ncoc2c1.c1cnc2ncsc2c1.c1cnc2ocnc2c1.c1cnc2scnc2c1
• InChI: InChI=1S/C8H7N.2C7H6N2.C7H5NO.C7H5NS.C7H5NSe.2C6H4N2O.2C6H4N2S.2C6H4N2Se/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;3*1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5/h1-4,6H,5H2;2*1-2,4-5H,3H2;3*1-5H;6*1-4H
• InChIKey: MCYIBZINOKVHCK-UHFFFAOYSA-N
• XLogP: 17.24
• TPSA: 295.63 Ų
• H-Bond Acceptors: 26
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1668.55
LogP ≤ 5	17.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoselenazole;1,3-benzothiazole;1,3-benzoxazole;3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;[1,3]selenazolo[4,5-b]pyridine;[1,3]selenazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine?

The IUPAC name of 1,3-benzoselenazole;1,3-benzothiazole;1,3-benzoxazole;3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;[1,3]selenazolo[4,5-b]pyridine;[1,3]selenazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine (CID 159530631) is 1,3-benzoselenazole;1,3-benzothiazole;1,3-benzoxazole;3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;[1,3]selenazolo[4,5-b]pyridine;[1,3]selenazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine.

What is the SMILES notation for 1,3-benzoselenazole;1,3-benzothiazole;1,3-benzoxazole;3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;[1,3]selenazolo[4,5-b]pyridine;[1,3]selenazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine?

The canonical SMILES for 1,3-benzoselenazole;1,3-benzothiazole;1,3-benzoxazole;3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;[1,3]selenazolo[4,5-b]pyridine;[1,3]selenazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine is C1=Nc2ccccc2C1.C1=Nc2cccnc2C1.C1=Nc2ncccc2C1.c1ccc2[se]cnc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cnc2[se]cnc2c1.c1cnc2nc[se]c2c1.c1cnc2ncoc2c1.c1cnc2ncsc2c1.c1cnc2ocnc2c1.c1cnc2scnc2c1.

What is the InChIKey of 1,3-benzoselenazole;1,3-benzothiazole;1,3-benzoxazole;3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;[1,3]selenazolo[4,5-b]pyridine;[1,3]selenazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine?

The InChIKey is MCYIBZINOKVHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.2C7H6N2.C7H5NO.C7H5NS.C7H5NSe.2C6H4N2O.2C6H4N2S.2C6H4N2Se/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;3*1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5/h1-4,6H,5H2;2*1-2,4-5H,3H2;3*1-5H;6*1-4H.

What are the key properties of 1,3-benzoselenazole;1,3-benzothiazole;1,3-benzoxazole;3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;[1,3]selenazolo[4,5-b]pyridine;[1,3]selenazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine?

1,3-benzoselenazole;1,3-benzothiazole;1,3-benzoxazole;3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;[1,3]selenazolo[4,5-b]pyridine;[1,3]selenazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 1668.55 g/mol, XLogP of 17.24, 0 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzoselenazole;1,3-benzothiazole;1,3-benzoxazole;3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;[1,3]selenazolo[4,5-b]pyridine;[1,3]selenazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 159530631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).