tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[methoxy(methyl)carbamoyl]benzimidazole-1-carboxylate;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridazine-3-carbonyl)benzimidazole-1-carboxylate;oxolane;pyridazine

C56H65N11O10 — CID 159936260

About tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[methoxy(methyl)carbamoyl]benzimidazole-1-carboxylate;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridazine-3-carbonyl)benzimidazole-1-carboxylate;oxolane;pyridazine

tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[methoxy(methyl)carbamoyl]benzimidazole-1-carboxylate;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridazine-3-carbonyl)benzimidazole-1-carboxylate;oxolane;pyridazine (PubChem CID 159936260) has the molecular formula C56H65N11O10 and a molecular weight of 1052.20 g/mol. Its IUPAC name is tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[methoxy(methyl)carbamoyl]benzimidazole-1-carboxylate;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridazine-3-carbonyl)benzimidazole-1-carboxylate;oxolane;pyridazine.

Molecular Properties

• Compound Name: tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[methoxy(methyl)carbamoyl]benzimidazole-1-carboxylate;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridazine-3-carbonyl)benzimidazole-1-carboxylate;oxolane;pyridazine
• PubChem CID: 159936260
• Molecular Formula: C56H65N11O10
• Molecular Weight: 1052.20 g/mol
• Exact Mass: 1051.49
• IUPAC Name: tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[methoxy(methyl)carbamoyl]benzimidazole-1-carboxylate;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridazine-3-carbonyl)benzimidazole-1-carboxylate;oxolane;pyridazine
• SMILES: C1CCOC1.CON(C)C(=O)c1cc(-c2c(C)noc2C)cc2c1nc(C1CC1)n2C(=O)OC(C)(C)C.Cc1noc(C)c1-c1cc(C(=O)c2cccnn2)c2nc(C3CC3)n(C(=O)OC(C)(C)C)c2c1.c1ccnnc1
• InChI: InChI=1S/C25H25N5O4.C23H28N4O5.C4H4N2.C4H8O/c1-13-20(14(2)34-29-13)16-11-17(22(31)18-7-6-10-26-28-18)21-19(12-16)30(23(27-21)15-8-9-15)24(32)33-25(3,4)5;1-12-18(13(2)32-25-12)15-10-16(21(28)26(6)30-7)19-17(11-15)27(20(24-19)14-8-9-14)22(29)31-23(3,4)5;1-2-4-6-5-3-1;1-2-4-5-3-1/h6-7,10-12,15H,8-9H2,1-5H3;10-11,14H,8-9H2,1-7H3;1-4H;1-4H2
• InChIKey: OAHDTZXSQSUFDH-UHFFFAOYSA-N
• XLogP: 10.87
• TPSA: 247.70 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1052.20
LogP ≤ 5	10.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[methoxy(methyl)carbamoyl]benzimidazole-1-carboxylate;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridazine-3-carbonyl)benzimidazole-1-carboxylate;oxolane;pyridazine?

The IUPAC name of tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[methoxy(methyl)carbamoyl]benzimidazole-1-carboxylate;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridazine-3-carbonyl)benzimidazole-1-carboxylate;oxolane;pyridazine (CID 159936260) is tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[methoxy(methyl)carbamoyl]benzimidazole-1-carboxylate;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridazine-3-carbonyl)benzimidazole-1-carboxylate;oxolane;pyridazine.

What is the SMILES notation for tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[methoxy(methyl)carbamoyl]benzimidazole-1-carboxylate;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridazine-3-carbonyl)benzimidazole-1-carboxylate;oxolane;pyridazine?

The canonical SMILES for tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[methoxy(methyl)carbamoyl]benzimidazole-1-carboxylate;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridazine-3-carbonyl)benzimidazole-1-carboxylate;oxolane;pyridazine is C1CCOC1.CON(C)C(=O)c1cc(-c2c(C)noc2C)cc2c1nc(C1CC1)n2C(=O)OC(C)(C)C.Cc1noc(C)c1-c1cc(C(=O)c2cccnn2)c2nc(C3CC3)n(C(=O)OC(C)(C)C)c2c1.c1ccnnc1.

What is the InChIKey of tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[methoxy(methyl)carbamoyl]benzimidazole-1-carboxylate;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridazine-3-carbonyl)benzimidazole-1-carboxylate;oxolane;pyridazine?

The InChIKey is OAHDTZXSQSUFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4.C23H28N4O5.C4H4N2.C4H8O/c1-13-20(14(2)34-29-13)16-11-17(22(31)18-7-6-10-26-28-18)21-19(12-16)30(23(27-21)15-8-9-15)24(32)33-25(3,4)5;1-12-18(13(2)32-25-12)15-10-16(21(28)26(6)30-7)19-17(11-15)27(20(24-19)14-8-9-14)22(29)31-23(3,4)5;1-2-4-6-5-3-1;1-2-4-5-3-1/h6-7,10-12,15H,8-9H2,1-5H3;10-11,14H,8-9H2,1-7H3;1-4H;1-4H2.

What are the key properties of tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[methoxy(methyl)carbamoyl]benzimidazole-1-carboxylate;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridazine-3-carbonyl)benzimidazole-1-carboxylate;oxolane;pyridazine?

tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[methoxy(methyl)carbamoyl]benzimidazole-1-carboxylate;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridazine-3-carbonyl)benzimidazole-1-carboxylate;oxolane;pyridazine has a molecular weight of 1052.20 g/mol, XLogP of 10.87, 8 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[methoxy(methyl)carbamoyl]benzimidazole-1-carboxylate;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridazine-3-carbonyl)benzimidazole-1-carboxylate;oxolane;pyridazine is sourced from PubChem (CID 159936260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).