N-[8-carbamoyl-10-(dimethylamino)-4,6a-dihydroxy-5,6,7,9-tetraoxo-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]-1,2-oxazole-5-carboxamide

C25H24N4O9 — CID 123484230

About N-[8-carbamoyl-10-(dimethylamino)-4,6a-dihydroxy-5,6,7,9-tetraoxo-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]-1,2-oxazole-5-carboxamide

N-[8-carbamoyl-10-(dimethylamino)-4,6a-dihydroxy-5,6,7,9-tetraoxo-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]-1,2-oxazole-5-carboxamide (PubChem CID 123484230) has the molecular formula C25H24N4O9 and a molecular weight of 524.49 g/mol. Its IUPAC name is N-[8-carbamoyl-10-(dimethylamino)-4,6a-dihydroxy-5,6,7,9-tetraoxo-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[8-carbamoyl-10-(dimethylamino)-4,6a-dihydroxy-5,6,7,9-tetraoxo-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]-1,2-oxazole-5-carboxamide
• PubChem CID: 123484230
• Molecular Formula: C25H24N4O9
• Molecular Weight: 524.49 g/mol
• Exact Mass: 524.15
• IUPAC Name: N-[8-carbamoyl-10-(dimethylamino)-4,6a-dihydroxy-5,6,7,9-tetraoxo-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]-1,2-oxazole-5-carboxamide
• SMILES: CN(C)C1C(=O)C(C(N)=O)C(=O)C2(O)C(=O)C3C(=O)c4c(O)ccc(NC(=O)c5ccno5)c4CC3CC12
• InChI: InChI=1S/C25H24N4O9/c1-29(2)18-11-8-9-7-10-12(28-24(36)14-5-6-27-38-14)3-4-13(30)16(10)19(31)15(9)21(33)25(11,37)22(34)17(20(18)32)23(26)35/h3-6,9,11,15,17-18,30,37H,7-8H2,1-2H3,(H2,26,35)(H,28,36)
• InChIKey: FWTZBMMMTORCSR-UHFFFAOYSA-N
• XLogP: -0.89
• TPSA: 210.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.49
LogP ≤ 5	-0.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[8-carbamoyl-10-(dimethylamino)-4,6a-dihydroxy-5,6,7,9-tetraoxo-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[8-carbamoyl-10-(dimethylamino)-4,6a-dihydroxy-5,6,7,9-tetraoxo-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]-1,2-oxazole-5-carboxamide (CID 123484230) is N-[8-carbamoyl-10-(dimethylamino)-4,6a-dihydroxy-5,6,7,9-tetraoxo-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[8-carbamoyl-10-(dimethylamino)-4,6a-dihydroxy-5,6,7,9-tetraoxo-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[8-carbamoyl-10-(dimethylamino)-4,6a-dihydroxy-5,6,7,9-tetraoxo-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]-1,2-oxazole-5-carboxamide is CN(C)C1C(=O)C(C(N)=O)C(=O)C2(O)C(=O)C3C(=O)c4c(O)ccc(NC(=O)c5ccno5)c4CC3CC12.

What is the InChIKey of N-[8-carbamoyl-10-(dimethylamino)-4,6a-dihydroxy-5,6,7,9-tetraoxo-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]-1,2-oxazole-5-carboxamide?

The InChIKey is FWTZBMMMTORCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O9/c1-29(2)18-11-8-9-7-10-12(28-24(36)14-5-6-27-38-14)3-4-13(30)16(10)19(31)15(9)21(33)25(11,37)22(34)17(20(18)32)23(26)35/h3-6,9,11,15,17-18,30,37H,7-8H2,1-2H3,(H2,26,35)(H,28,36).

What are the key properties of N-[8-carbamoyl-10-(dimethylamino)-4,6a-dihydroxy-5,6,7,9-tetraoxo-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]-1,2-oxazole-5-carboxamide?

N-[8-carbamoyl-10-(dimethylamino)-4,6a-dihydroxy-5,6,7,9-tetraoxo-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 524.49 g/mol, XLogP of -0.89, 4 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-carbamoyl-10-(dimethylamino)-4,6a-dihydroxy-5,6,7,9-tetraoxo-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 123484230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).