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;4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonitrile;prop-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate

C91H109N21O13 — CID 159376759

About 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;4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonitrile;prop-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;4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonitrile;prop-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate (PubChem CID 159376759) has the molecular formula C91H109N21O13 and a molecular weight of 1705.01 g/mol. Its IUPAC name is 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;4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonitrile;prop-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate.

Molecular Properties

• Compound Name: 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;4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonitrile;prop-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
• PubChem CID: 159376759
• Molecular Formula: C91H109N21O13
• Molecular Weight: 1705.01 g/mol
• Exact Mass: 1703.85
• IUPAC Name: 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;4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonitrile;prop-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
• SMILES: C#CCOC(=O)N(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.N#Cc1ccc2c(n1)N(Cc1cnc[nH]1)CCO2
• InChI: InChI=1S/C24H28N4O2.C19H26N4O4.C18H24N4O3.C18H20N4O3.C12H11N5O/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;1-3-22(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;1-3-8-25-18(23)22(4-2)15-5-6-17-16(10-15)21(7-9-24-17)12-14-11-19-13-20-14;13-5-9-1-2-11-12(16-9)17(3-4-18-11)7-10-6-14-8-15-10/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);4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,19,20);1,5-6,10-11,13H,4,7-9,12H2,2H3,(H,19,20);1-2,6,8H,3-4,7H2,(H,14,15)
• InChIKey: LKKLWFDLHJQCRL-UHFFFAOYSA-N
• XLogP: 11.69
• TPSA: 360.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 31
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1705.01
LogP ≤ 5	11.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonitrile;prop-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?

The IUPAC name of 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;4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonitrile;prop-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate (CID 159376759) is 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;4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonitrile;prop-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate.

What is the SMILES notation for 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;4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonitrile;prop-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?

The canonical SMILES for 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;4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonitrile;prop-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate is C#CCOC(=O)N(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.N#Cc1ccc2c(n1)N(Cc1cnc[nH]1)CCO2.

What is the InChIKey of 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;4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonitrile;prop-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?

The InChIKey is LKKLWFDLHJQCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2.C19H26N4O4.C18H24N4O3.C18H20N4O3.C12H11N5O/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;1-3-22(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;1-3-8-25-18(23)22(4-2)15-5-6-17-16(10-15)21(7-9-24-17)12-14-11-19-13-20-14;13-5-9-1-2-11-12(16-9)17(3-4-18-11)7-10-6-14-8-15-10/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);4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,19,20);1,5-6,10-11,13H,4,7-9,12H2,2H3,(H,19,20);1-2,6,8H,3-4,7H2,(H,14,15).

What are the key properties of 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;4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonitrile;prop-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;4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonitrile;prop-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate has a molecular weight of 1705.01 g/mol, XLogP of 11.69, 31 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 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;4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonitrile;prop-2-ynyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate is sourced from PubChem (CID 159376759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).