N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(2-fluoro-6-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide

C30H26FN3O5 — CID 138662056

About N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(2-fluoro-6-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(2-fluoro-6-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 138662056) has the molecular formula C30H26FN3O5 and a molecular weight of 527.55 g/mol. Its IUPAC name is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(2-fluoro-6-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(2-fluoro-6-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 138662056
• Molecular Formula: C30H26FN3O5
• Molecular Weight: 527.55 g/mol
• Exact Mass: 527.19
• IUPAC Name: N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(2-fluoro-6-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
• SMILES: Cc1cccc(F)c1-c1noc(C)c1C(=O)NC12C(=O)c3c(N)cccc3C1(O)Oc1cc(C(C)C)ccc12
• InChI: InChI=1S/C30H26FN3O5/c1-14(2)17-11-12-18-22(13-17)38-30(37)19-8-6-10-21(32)25(19)27(35)29(18,30)33-28(36)24-16(4)39-34-26(24)23-15(3)7-5-9-20(23)31/h5-14,37H,32H2,1-4H3,(H,33,36)
• InChIKey: OHKYSEDVBSNREZ-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 127.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.55
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(2-fluoro-6-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(2-fluoro-6-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 138662056) is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(2-fluoro-6-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(2-fluoro-6-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(2-fluoro-6-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1cccc(F)c1-c1noc(C)c1C(=O)NC12C(=O)c3c(N)cccc3C1(O)Oc1cc(C(C)C)ccc12.

What is the InChIKey of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(2-fluoro-6-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?

The InChIKey is OHKYSEDVBSNREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3O5/c1-14(2)17-11-12-18-22(13-17)38-30(37)19-8-6-10-21(32)25(19)27(35)29(18,30)33-28(36)24-16(4)39-34-26(24)23-15(3)7-5-9-20(23)31/h5-14,37H,32H2,1-4H3,(H,33,36).

What are the key properties of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(2-fluoro-6-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(2-fluoro-6-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 527.55 g/mol, XLogP of 4.86, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-(2-fluoro-6-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 138662056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).