2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile

C64H59N9O8 — CID 157499693

About 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile

2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile (PubChem CID 157499693) has the molecular formula C64H59N9O8 and a molecular weight of 1082.23 g/mol. Its IUPAC name is 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile
• PubChem CID: 157499693
• Molecular Formula: C64H59N9O8
• Molecular Weight: 1082.23 g/mol
• Exact Mass: 1081.45
• IUPAC Name: 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile
• SMILES: CCn1c(-c2ccc(C(=O)N3CCC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N3CCOC3=O)c2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C22H21N3O2.2C21H19N3O3/c1-3-25-20-10-9-17(27-2)13-18(20)19(14-23)21(25)15-5-7-16(8-6-15)22(26)24-11-4-12-24;1-3-23-19-12-16(26-2)8-9-17(19)18(13-22)20(23)14-4-6-15(7-5-14)24-10-11-27-21(24)25;1-3-23-19-12-16(26-2)7-8-17(19)18(13-22)20(23)14-5-4-6-15(11-14)24-9-10-27-21(24)25/h5-10,13H,3-4,11-12H2,1-2H3;4-9,12H,3,10-11H2,1-2H3;4-8,11-12H,3,9-10H2,1-2H3
• InChIKey: BYGKXQMKAGGAPR-UHFFFAOYSA-N
• XLogP: 12.38
• TPSA: 193.24 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1082.23
LogP ≤ 5	12.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile?

The IUPAC name of 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile (CID 157499693) is 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile.

What is the SMILES notation for 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile?

The canonical SMILES for 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile is CCn1c(-c2ccc(C(=O)N3CCC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N3CCOC3=O)c2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile?

The InChIKey is BYGKXQMKAGGAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2.2C21H19N3O3/c1-3-25-20-10-9-17(27-2)13-18(20)19(14-23)21(25)15-5-7-16(8-6-15)22(26)24-11-4-12-24;1-3-23-19-12-16(26-2)8-9-17(19)18(13-22)20(23)14-4-6-15(7-5-14)24-10-11-27-21(24)25;1-3-23-19-12-16(26-2)7-8-17(19)18(13-22)20(23)14-5-4-6-15(11-14)24-9-10-27-21(24)25/h5-10,13H,3-4,11-12H2,1-2H3;4-9,12H,3,10-11H2,1-2H3;4-8,11-12H,3,9-10H2,1-2H3.

What are the key properties of 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile?

2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile has a molecular weight of 1082.23 g/mol, XLogP of 12.38, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile is sourced from PubChem (CID 157499693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).