N,N-dimethylformamide;pentakis(5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide)

C138H112N16O26 — CID 175653237

About N,N-dimethylformamide;pentakis(5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide)

N,N-dimethylformamide;pentakis(5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide) (PubChem CID 175653237) has the molecular formula C138H112N16O26 and a molecular weight of 2410.50 g/mol. Its IUPAC name is N,N-dimethylformamide;pentakis(5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide).

Molecular Properties

• Compound Name: N,N-dimethylformamide;pentakis(5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide)
• PubChem CID: 175653237
• Molecular Formula: C138H112N16O26
• Molecular Weight: 2410.50 g/mol
• Exact Mass: 2408.79
• IUPAC Name: N,N-dimethylformamide;pentakis(5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide)
• SMILES: CN(C)C=O.COc1ccc(-c2cc(C(=O)Nc3c(C(=O)Nc4cccc(C)c4)oc4ccccc34)no2)cc1.COc1ccc(-c2cc(C(=O)Nc3c(C(=O)Nc4cccc(C)c4)oc4ccccc34)no2)cc1.COc1ccc(-c2cc(C(=O)Nc3c(C(=O)Nc4cccc(C)c4)oc4ccccc34)no2)cc1.COc1ccc(-c2cc(C(=O)Nc3c(C(=O)Nc4cccc(C)c4)oc4ccccc34)no2)cc1.COc1ccc(-c2cc(C(=O)Nc3c(C(=O)Nc4cccc(C)c4)oc4ccccc34)no2)cc1
• InChI: InChI=1S/5C27H21N3O5.C3H7NO/c5*1-16-6-5-7-18(14-16)28-27(32)25-24(20-8-3-4-9-22(20)34-25)29-26(31)21-15-23(35-30-21)17-10-12-19(33-2)13-11-17;1-4(2)3-5/h5*3-15H,1-2H3,(H,28,32)(H,29,31);3H,1-2H3
• InChIKey: RYCWRUSMUBVZCP-UHFFFAOYSA-N
• XLogP: 29.25
• TPSA: 553.31 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 31
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2410.50
LogP ≤ 5	29.25
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;pentakis(5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide)?

The IUPAC name of N,N-dimethylformamide;pentakis(5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide) (CID 175653237) is N,N-dimethylformamide;pentakis(5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide).

What is the SMILES notation for N,N-dimethylformamide;pentakis(5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide)?

The canonical SMILES for N,N-dimethylformamide;pentakis(5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide) is CN(C)C=O.COc1ccc(-c2cc(C(=O)Nc3c(C(=O)Nc4cccc(C)c4)oc4ccccc34)no2)cc1.COc1ccc(-c2cc(C(=O)Nc3c(C(=O)Nc4cccc(C)c4)oc4ccccc34)no2)cc1.COc1ccc(-c2cc(C(=O)Nc3c(C(=O)Nc4cccc(C)c4)oc4ccccc34)no2)cc1.COc1ccc(-c2cc(C(=O)Nc3c(C(=O)Nc4cccc(C)c4)oc4ccccc34)no2)cc1.COc1ccc(-c2cc(C(=O)Nc3c(C(=O)Nc4cccc(C)c4)oc4ccccc34)no2)cc1.

What is the InChIKey of N,N-dimethylformamide;pentakis(5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide)?

The InChIKey is RYCWRUSMUBVZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/5C27H21N3O5.C3H7NO/c5*1-16-6-5-7-18(14-16)28-27(32)25-24(20-8-3-4-9-22(20)34-25)29-26(31)21-15-23(35-30-21)17-10-12-19(33-2)13-11-17;1-4(2)3-5/h5*3-15H,1-2H3,(H,28,32)(H,29,31);3H,1-2H3.

What are the key properties of N,N-dimethylformamide;pentakis(5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide)?

N,N-dimethylformamide;pentakis(5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide) has a molecular weight of 2410.50 g/mol, XLogP of 29.25, 31 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethylformamide;pentakis(5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide) is sourced from PubChem (CID 175653237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).