(3-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-benzyl-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea;(1-methylimidazol-4-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-3-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-4-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate

C146H166N38O21 — CID 160890267

IUPAC(3-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-benzyl-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea;(1-methylimidazol-4-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-3-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-4-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
SMILESCCN(C(=O)NCc1ccccc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1cc(C)on1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1cccnc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1ccncc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1ccncc1N)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1cn(C)cn1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1cnc(C)nc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2
InChIInChI=1S/C22H25N5O2.2C21H24N6O3.2C21H23N5O3.C20H24N6O3.C20H23N5O4/c1-2-27(22(28)24-13-17-6-4-3-5-7-17)19-8-9-21-20(12-19)26(10-11-29-21)15-18-14-23-16-25-18;1-3-27(21(28)30-13-16-9-23-15(2)24-10-16)18-4-5-20-19(8-18)26(6-7-29-20)12-17-11-22-14-25-17;1-2-27(21(28)30-13-15-5-6-23-11-18(15)22)17-3-4-20-19(9-17)26(7-8-29-20)12-16-10-24-14-25-16;1-2-26(21(27)29-14-16-5-7-22-8-6-16)18-3-4-20-19(11-18)25(9-10-28-20)13-17-12-23-15-24-17;1-2-26(21(27)29-14-16-4-3-7-22-11-16)18-5-6-20-19(10-18)25(8-9-28-20)13-17-12-23-15-24-17;1-3-26(20(27)29-12-16-10-24(2)14-23-16)17-4-5-19-18(8-17)25(6-7-28-19)11-15-9-21-13-22-15;1-3-25(20(26)28-12-15-8-14(2)29-23-15)17-4-5-19-18(9-17)24(6-7-27-19)11-16-10-21-13-22-16/h3-9,12,14,16H,2,10-11,13,15H2,1H3,(H,23,25)(H,24,28);4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,22,25);3-6,9-11,14H,2,7-8,12-13,22H2,1H3,(H,24,25);3-8,11-12,15H,2,9-10,13-14H2,1H3,(H,23,24);3-7,10-12,15H,2,8-9,13-14H2,1H3,(H,23,24);4-5,8-10,13-14H,3,6-7,11-12H2,1-2H3,(H,21,22);4-5,8-10,13H,3,6-7,11-12H2,1-2H3,(H,21,22)
InChIKeySOEFJBAZBKKXAE-UHFFFAOYSA-N
MW2789.18 g/mol
LogP22.27
Rot. Bonds42

About (3-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-benzyl-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea;(1-methylimidazol-4-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-3-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-4-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate

(3-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-benzyl-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea;(1-methylimidazol-4-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-3-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-4-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate (PubChem CID 160890267) has the molecular formula C146H166N38O21 and a molecular weight of 2789.18 g/mol. Its IUPAC name is (3-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-benzyl-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea;(1-methylimidazol-4-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-3-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-4-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate.

Molecular Properties

Compound Name(3-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-benzyl-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea;(1-methylimidazol-4-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-3-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-4-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
PubChem CID160890267
Molecular FormulaC146H166N38O21
Molecular Weight2789.18 g/mol
Exact Mass2787.31
IUPAC Name(3-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-benzyl-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea;(1-methylimidazol-4-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-3-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-4-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
SMILESCCN(C(=O)NCc1ccccc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1cc(C)on1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1cccnc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1ccncc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1ccncc1N)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1cn(C)cn1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1cnc(C)nc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2
InChIInChI=1S/C22H25N5O2.2C21H24N6O3.2C21H23N5O3.C20H24N6O3.C20H23N5O4/c1-2-27(22(28)24-13-17-6-4-3-5-7-17)19-8-9-21-20(12-19)26(10-11-29-21)15-18-14-23-16-25-18;1-3-27(21(28)30-13-16-9-23-15(2)24-10-16)18-4-5-20-19(8-18)26(6-7-29-20)12-17-11-22-14-25-17;1-2-27(21(28)30-13-15-5-6-23-11-18(15)22)17-3-4-20-19(9-17)26(7-8-29-20)12-16-10-24-14-25-16;1-2-26(21(27)29-14-16-5-7-22-8-6-16)18-3-4-20-19(11-18)25(9-10-28-20)13-17-12-23-15-24-17;1-2-26(21(27)29-14-16-4-3-7-22-11-16)18-5-6-20-19(10-18)25(8-9-28-20)13-17-12-23-15-24-17;1-3-26(20(27)29-12-16-10-24(2)14-23-16)17-4-5-19-18(8-17)25(6-7-28-19)11-15-9-21-13-22-15;1-3-25(20(26)28-12-15-8-14(2)29-23-15)17-4-5-19-18(9-17)24(6-7-27-19)11-16-10-21-13-22-16/h3-9,12,14,16H,2,10-11,13,15H2,1H3,(H,23,25)(H,24,28);4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,22,25);3-6,9-11,14H,2,7-8,12-13,22H2,1H3,(H,24,25);3-8,11-12,15H,2,9-10,13-14H2,1H3,(H,23,24);3-7,10-12,15H,2,8-9,13-14H2,1H3,(H,23,24);4-5,8-10,13-14H,3,6-7,11-12H2,1-2H3,(H,21,22);4-5,8-10,13H,3,6-7,11-12H2,1-2H3,(H,21,22)
InChIKeySOEFJBAZBKKXAE-UHFFFAOYSA-N
XLogP22.27
TPSA631.95 Ų
H-Bond Donors9
H-Bond Acceptors44
Rotatable Bonds42
Heavy Atoms205
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002789.18
LogP ≤ 522.27
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (3-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-benzyl-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea;(1-methylimidazol-4-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-3-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-4-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-benzyl-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea;(1-methylimidazol-4-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-3-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-4-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?
The IUPAC name of (3-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-benzyl-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea;(1-methylimidazol-4-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-3-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-4-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate (CID 160890267) is (3-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-benzyl-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea;(1-methylimidazol-4-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-3-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-4-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate.
What is the SMILES notation for (3-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-benzyl-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea;(1-methylimidazol-4-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-3-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-4-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?
The canonical SMILES for (3-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-benzyl-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea;(1-methylimidazol-4-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-3-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-4-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate is CCN(C(=O)NCc1ccccc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1cc(C)on1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1cccnc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1ccncc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1ccncc1N)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1cn(C)cn1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1cnc(C)nc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.
What is the InChIKey of (3-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-benzyl-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea;(1-methylimidazol-4-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-3-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-4-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?
The InChIKey is SOEFJBAZBKKXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2.2C21H24N6O3.2C21H23N5O3.C20H24N6O3.C20H23N5O4/c1-2-27(22(28)24-13-17-6-4-3-5-7-17)19-8-9-21-20(12-19)26(10-11-29-21)15-18-14-23-16-25-18;1-3-27(21(28)30-13-16-9-23-15(2)24-10-16)18-4-5-20-19(8-18)26(6-7-29-20)12-17-11-22-14-25-17;1-2-27(21(28)30-13-15-5-6-23-11-18(15)22)17-3-4-20-19(9-17)26(7-8-29-20)12-16-10-24-14-25-16;1-2-26(21(27)29-14-16-5-7-22-8-6-16)18-3-4-20-19(11-18)25(9-10-28-20)13-17-12-23-15-24-17;1-2-26(21(27)29-14-16-4-3-7-22-11-16)18-5-6-20-19(10-18)25(8-9-28-20)13-17-12-23-15-24-17;1-3-26(20(27)29-12-16-10-24(2)14-23-16)17-4-5-19-18(8-17)25(6-7-28-19)11-15-9-21-13-22-15;1-3-25(20(26)28-12-15-8-14(2)29-23-15)17-4-5-19-18(9-17)24(6-7-27-19)11-16-10-21-13-22-16/h3-9,12,14,16H,2,10-11,13,15H2,1H3,(H,23,25)(H,24,28);4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,22,25);3-6,9-11,14H,2,7-8,12-13,22H2,1H3,(H,24,25);3-8,11-12,15H,2,9-10,13-14H2,1H3,(H,23,24);3-7,10-12,15H,2,8-9,13-14H2,1H3,(H,23,24);4-5,8-10,13-14H,3,6-7,11-12H2,1-2H3,(H,21,22);4-5,8-10,13H,3,6-7,11-12H2,1-2H3,(H,21,22).
What are the key properties of (3-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-benzyl-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea;(1-methylimidazol-4-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-3-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-4-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?
(3-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-benzyl-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea;(1-methylimidazol-4-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-3-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-4-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate has a molecular weight of 2789.18 g/mol, XLogP of 22.27, 42 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-benzyl-1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea;(1-methylimidazol-4-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;(2-methylpyrimidin-5-yl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-3-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-4-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate is sourced from PubChem (CID 160890267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).