6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;but-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-(2-methoxyethoxy)acetamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxypropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-4-phenylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-propylpropanamide;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate

C127H159BrN28O19 — CID 161163215

About 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;but-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-(2-methoxyethoxy)acetamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxypropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-4-phenylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-propylpropanamide;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate

6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;but-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-(2-methoxyethoxy)acetamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxypropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-4-phenylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-propylpropanamide;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate (PubChem CID 161163215) has the molecular formula C127H159BrN28O19 and a molecular weight of 2461.75 g/mol. Its IUPAC name is 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;but-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-(2-methoxyethoxy)acetamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxypropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-4-phenylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-propylpropanamide;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate.

Molecular Properties

• Compound Name: 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;but-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-(2-methoxyethoxy)acetamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxypropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-4-phenylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-propylpropanamide;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
• PubChem CID: 161163215
• Molecular Formula: C127H159BrN28O19
• Molecular Weight: 2461.75 g/mol
• Exact Mass: 2459.15
• IUPAC Name: 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;but-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-(2-methoxyethoxy)acetamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxypropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-4-phenylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-propylpropanamide;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
• SMILES: Brc1ccc2c(n1)N(Cc1cnc[nH]1)CCO2.CC#CCOC(=O)N(CC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCCN(C(=O)CC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)CCCc1ccccc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)CCOC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)COCCOC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCCOC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2
• InChI: InChI=1S/C24H28N4O2.C19H26N4O4.C19H22N4O3.C18H24N4O4.C18H24N4O3.C18H24N4O2.C11H11BrN4O/c1-2-28(24(29)10-6-9-19-7-4-3-5-8-19)21-11-12-23-22(15-21)27(13-14-30-23)17-20-16-25-18-26-20;1-3-23(19(24)13-26-9-8-25-2)16-4-5-18-17(10-16)22(6-7-27-18)12-15-11-20-14-21-15;1-3-5-9-26-19(24)23(4-2)16-6-7-18-17(11-16)22(8-10-25-18)13-15-12-20-14-21-15;1-3-22(18(23)26-9-8-24-2)15-4-5-17-16(10-15)21(6-7-25-17)12-14-11-19-13-20-14;1-3-22(18(23)6-8-24-2)15-4-5-17-16(10-15)21(7-9-25-17)12-14-11-19-13-20-14;1-3-7-22(18(23)4-2)15-5-6-17-16(10-15)21(8-9-24-17)12-14-11-19-13-20-14;12-10-2-1-9-11(15-10)16(3-4-17-9)6-8-5-13-7-14-8/h3-5,7-8,11-12,15-16,18H,2,6,9-10,13-14,17H2,1H3,(H,25,26);4-5,10-11,14H,3,6-9,12-13H2,1-2H3,(H,20,21);6-7,11-12,14H,4,8-10,13H2,1-2H3,(H,20,21);4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,19,20);4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,19,20);5-6,10-11,13H,3-4,7-9,12H2,1-2H3,(H,19,20);1-2,5,7H,3-4,6H2,(H,13,14)
• InChIKey: UQERYTHSPVGSRT-UHFFFAOYSA-N
• XLogP: 18.35
• TPSA: 478.18 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 44
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2461.75
LogP ≤ 5	18.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;but-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-(2-methoxyethoxy)acetamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxypropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-4-phenylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-propylpropanamide;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?

The IUPAC name of 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;but-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-(2-methoxyethoxy)acetamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxypropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-4-phenylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-propylpropanamide;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate (CID 161163215) is 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;but-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-(2-methoxyethoxy)acetamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxypropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-4-phenylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-propylpropanamide;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate.

What is the SMILES notation for 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;but-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-(2-methoxyethoxy)acetamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxypropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-4-phenylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-propylpropanamide;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?

The canonical SMILES for 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;but-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-(2-methoxyethoxy)acetamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxypropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-4-phenylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-propylpropanamide;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate is Brc1ccc2c(n1)N(Cc1cnc[nH]1)CCO2.CC#CCOC(=O)N(CC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCCN(C(=O)CC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)CCCc1ccccc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)CCOC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)COCCOC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCCOC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.

What is the InChIKey of 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;but-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-(2-methoxyethoxy)acetamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxypropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-4-phenylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-propylpropanamide;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?

The InChIKey is UQERYTHSPVGSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2.C19H26N4O4.C19H22N4O3.C18H24N4O4.C18H24N4O3.C18H24N4O2.C11H11BrN4O/c1-2-28(24(29)10-6-9-19-7-4-3-5-8-19)21-11-12-23-22(15-21)27(13-14-30-23)17-20-16-25-18-26-20;1-3-23(19(24)13-26-9-8-25-2)16-4-5-18-17(10-16)22(6-7-27-18)12-15-11-20-14-21-15;1-3-5-9-26-19(24)23(4-2)16-6-7-18-17(11-16)22(8-10-25-18)13-15-12-20-14-21-15;1-3-22(18(23)26-9-8-24-2)15-4-5-17-16(10-15)21(6-7-25-17)12-14-11-19-13-20-14;1-3-22(18(23)6-8-24-2)15-4-5-17-16(10-15)21(7-9-25-17)12-14-11-19-13-20-14;1-3-7-22(18(23)4-2)15-5-6-17-16(10-15)21(8-9-24-17)12-14-11-19-13-20-14;12-10-2-1-9-11(15-10)16(3-4-17-9)6-8-5-13-7-14-8/h3-5,7-8,11-12,15-16,18H,2,6,9-10,13-14,17H2,1H3,(H,25,26);4-5,10-11,14H,3,6-9,12-13H2,1-2H3,(H,20,21);6-7,11-12,14H,4,8-10,13H2,1-2H3,(H,20,21);4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,19,20);4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,19,20);5-6,10-11,13H,3-4,7-9,12H2,1-2H3,(H,19,20);1-2,5,7H,3-4,6H2,(H,13,14).

What are the key properties of 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;but-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-(2-methoxyethoxy)acetamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxypropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-4-phenylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-propylpropanamide;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?

6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;but-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-(2-methoxyethoxy)acetamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxypropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-4-phenylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-propylpropanamide;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate has a molecular weight of 2461.75 g/mol, XLogP of 18.35, 44 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;but-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-(2-methoxyethoxy)acetamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxypropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-4-phenylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-propylpropanamide;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate is sourced from PubChem (CID 161163215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).