5-bromo-6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;methyl 2-amino-5-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]benzoate;methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

C63H60BBrN16O10 — CID 163676661

About 5-bromo-6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;methyl 2-amino-5-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]benzoate;methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

5-bromo-6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;methyl 2-amino-5-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]benzoate;methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (PubChem CID 163676661) has the molecular formula C63H60BBrN16O10 and a molecular weight of 1291.99 g/mol. Its IUPAC name is 5-bromo-6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;methyl 2-amino-5-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]benzoate;methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate.

Molecular Properties

• Compound Name: 5-bromo-6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;methyl 2-amino-5-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]benzoate;methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
• PubChem CID: 163676661
• Molecular Formula: C63H60BBrN16O10
• Molecular Weight: 1291.99 g/mol
• Exact Mass: 1290.40
• IUPAC Name: 5-bromo-6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;methyl 2-amino-5-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]benzoate;methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
• SMILES: Brc1c(-c2ccn(C3CC3)n2)nc2occn12.COC(=O)c1cc(-c2c(-c3ccn(C4CC4)n3)nc3occn23)ccc1N.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1N.O=c1[nH]cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)cc12
• InChI: InChI=1S/C19H14N6O2.C19H17N5O3.C14H20BNO4.C11H9BrN4O/c26-18-13-9-11(1-4-14(13)20-10-21-18)17-16(22-19-24(17)7-8-27-19)15-5-6-25(23-15)12-2-3-12;1-26-18(25)13-10-11(2-5-14(13)20)17-16(21-19-23(17)8-9-27-19)15-6-7-24(22-15)12-3-4-12;1-13(2)14(3,4)20-15(19-13)9-6-7-11(16)10(8-9)12(17)18-5;12-10-9(13-11-15(10)5-6-17-11)8-3-4-16(14-8)7-1-2-7/h1,4-10,12H,2-3H2,(H,20,21,26);2,5-10,12H,3-4,20H2,1H3;6-8H,16H2,1-5H3;3-7H,1-2H2
• InChIKey: JHGSGKIXBIRRQS-UHFFFAOYSA-N
• XLogP: 10.43
• TPSA: 313.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 11
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1291.99
LogP ≤ 5	10.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;methyl 2-amino-5-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]benzoate;methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?

The IUPAC name of 5-bromo-6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;methyl 2-amino-5-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]benzoate;methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (CID 163676661) is 5-bromo-6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;methyl 2-amino-5-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]benzoate;methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate.

What is the SMILES notation for 5-bromo-6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;methyl 2-amino-5-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]benzoate;methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?

The canonical SMILES for 5-bromo-6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;methyl 2-amino-5-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]benzoate;methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is Brc1c(-c2ccn(C3CC3)n2)nc2occn12.COC(=O)c1cc(-c2c(-c3ccn(C4CC4)n3)nc3occn23)ccc1N.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1N.O=c1[nH]cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)cc12.

What is the InChIKey of 5-bromo-6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;methyl 2-amino-5-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]benzoate;methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?

The InChIKey is JHGSGKIXBIRRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2.C19H17N5O3.C14H20BNO4.C11H9BrN4O/c26-18-13-9-11(1-4-14(13)20-10-21-18)17-16(22-19-24(17)7-8-27-19)15-5-6-25(23-15)12-2-3-12;1-26-18(25)13-10-11(2-5-14(13)20)17-16(21-19-23(17)8-9-27-19)15-6-7-24(22-15)12-3-4-12;1-13(2)14(3,4)20-15(19-13)9-6-7-11(16)10(8-9)12(17)18-5;12-10-9(13-11-15(10)5-6-17-11)8-3-4-16(14-8)7-1-2-7/h1,4-10,12H,2-3H2,(H,20,21,26);2,5-10,12H,3-4,20H2,1H3;6-8H,16H2,1-5H3;3-7H,1-2H2.

What are the key properties of 5-bromo-6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;methyl 2-amino-5-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]benzoate;methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?

5-bromo-6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;methyl 2-amino-5-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]benzoate;methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate has a molecular weight of 1291.99 g/mol, XLogP of 10.43, 11 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazole;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3H-quinazolin-4-one;methyl 2-amino-5-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]benzoate;methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is sourced from PubChem (CID 163676661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).