(2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate

C135H157N35O20S — CID 158752407

IUPAC(2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
SMILESCCN(C(=O)C#CC1CC1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1ccccn1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1ccnc(N)c1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)n1ccnc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CNC(=O)N(c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2)C(C)C.CONC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2
InChIInChI=1S/C23H26N4O5S.C21H24N6O3.C21H23N5O3.C20H22N4O2.C18H20N6O2.C17H23N5O2.C15H19N5O3/c1-3-27(23(28)32-15-17-4-7-20(8-5-17)33(2,29)30)19-6-9-22-21(12-19)26(10-11-31-22)14-18-13-24-16-25-18;1-2-27(21(28)30-13-15-5-6-24-20(22)9-15)17-3-4-19-18(10-17)26(7-8-29-19)12-16-11-23-14-25-16;1-2-26(21(27)29-14-16-5-3-4-8-23-16)18-6-7-20-19(11-18)25(9-10-28-20)13-17-12-22-15-24-17;1-2-24(20(25)8-5-15-3-4-15)17-6-7-19-18(11-17)23(9-10-26-19)13-16-12-21-14-22-16;1-2-24(18(25)23-6-5-19-13-23)15-3-4-17-16(9-15)22(7-8-26-17)11-14-10-20-12-21-14;1-12(2)22(17(23)18-3)14-4-5-16-15(8-14)21(6-7-24-16)10-13-9-19-11-20-13;1-19(15(21)18-22-2)12-3-4-14-13(7-12)20(5-6-23-14)9-11-8-16-10-17-11/h4-9,12-13,16H,3,10-11,14-15H2,1-2H3,(H,24,25);3-6,9-11,14H,2,7-8,12-13H2,1H3,(H2,22,24)(H,23,25);3-8,11-12,15H,2,9-10,13-14H2,1H3,(H,22,24);6-7,11-12,14-15H,2-4,9-10,13H2,1H3,(H,21,22);3-6,9-10,12-13H,2,7-8,11H2,1H3,(H,20,21);4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,18,23)(H,19,20);3-4,7-8,10H,5-6,9H2,1-2H3,(H,16,17)(H,18,21)
InChIKeyINQLDGAJGYRFIX-UHFFFAOYSA-N
MW2622.03 g/mol
LogP18.64
Rot. Bonds35

About (2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate

(2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate (PubChem CID 158752407) has the molecular formula C135H157N35O20S and a molecular weight of 2622.03 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
PubChem CID158752407
Molecular FormulaC135H157N35O20S
Molecular Weight2622.03 g/mol
Exact Mass2620.21
IUPAC Name(2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
SMILESCCN(C(=O)C#CC1CC1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1ccccn1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1ccnc(N)c1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)n1ccnc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CNC(=O)N(c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2)C(C)C.CONC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2
InChIInChI=1S/C23H26N4O5S.C21H24N6O3.C21H23N5O3.C20H22N4O2.C18H20N6O2.C17H23N5O2.C15H19N5O3/c1-3-27(23(28)32-15-17-4-7-20(8-5-17)33(2,29)30)19-6-9-22-21(12-19)26(10-11-31-22)14-18-13-24-16-25-18;1-2-27(21(28)30-13-15-5-6-24-20(22)9-15)17-3-4-19-18(10-17)26(7-8-29-19)12-16-11-23-14-25-16;1-2-26(21(27)29-14-16-5-3-4-8-23-16)18-6-7-20-19(11-18)25(9-10-28-20)13-17-12-22-15-24-17;1-2-24(20(25)8-5-15-3-4-15)17-6-7-19-18(11-17)23(9-10-26-19)13-16-12-21-14-22-16;1-2-24(18(25)23-6-5-19-13-23)15-3-4-17-16(9-15)22(7-8-26-17)11-14-10-20-12-21-14;1-12(2)22(17(23)18-3)14-4-5-16-15(8-14)21(6-7-24-16)10-13-9-19-11-20-13;1-19(15(21)18-22-2)12-3-4-14-13(7-12)20(5-6-23-14)9-11-8-16-10-17-11/h4-9,12-13,16H,3,10-11,14-15H2,1-2H3,(H,24,25);3-6,9-11,14H,2,7-8,12-13H2,1H3,(H2,22,24)(H,23,25);3-8,11-12,15H,2,9-10,13-14H2,1H3,(H,22,24);6-7,11-12,14-15H,2-4,9-10,13H2,1H3,(H,21,22);3-6,9-10,12-13H,2,7-8,11H2,1H3,(H,20,21);4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,18,23)(H,19,20);3-4,7-8,10H,5-6,9H2,1-2H3,(H,16,17)(H,18,21)
InChIKeyINQLDGAJGYRFIX-UHFFFAOYSA-N
XLogP18.64
TPSA594.96 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds35
Heavy Atoms191
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002622.03
LogP ≤ 518.64
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-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 (2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?
The IUPAC name of (2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate (CID 158752407) is (2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate.
What is the SMILES notation for (2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?
The canonical SMILES for (2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate is CCN(C(=O)C#CC1CC1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1ccccn1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCc1ccnc(N)c1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)n1ccnc1)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CNC(=O)N(c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2)C(C)C.CONC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.
What is the InChIKey of (2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?
The InChIKey is INQLDGAJGYRFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S.C21H24N6O3.C21H23N5O3.C20H22N4O2.C18H20N6O2.C17H23N5O2.C15H19N5O3/c1-3-27(23(28)32-15-17-4-7-20(8-5-17)33(2,29)30)19-6-9-22-21(12-19)26(10-11-31-22)14-18-13-24-16-25-18;1-2-27(21(28)30-13-15-5-6-24-20(22)9-15)17-3-4-19-18(10-17)26(7-8-29-19)12-16-11-23-14-25-16;1-2-26(21(27)29-14-16-5-3-4-8-23-16)18-6-7-20-19(11-18)25(9-10-28-20)13-17-12-22-15-24-17;1-2-24(20(25)8-5-15-3-4-15)17-6-7-19-18(11-17)23(9-10-26-19)13-16-12-21-14-22-16;1-2-24(18(25)23-6-5-19-13-23)15-3-4-17-16(9-15)22(7-8-26-17)11-14-10-20-12-21-14;1-12(2)22(17(23)18-3)14-4-5-16-15(8-14)21(6-7-24-16)10-13-9-19-11-20-13;1-19(15(21)18-22-2)12-3-4-14-13(7-12)20(5-6-23-14)9-11-8-16-10-17-11/h4-9,12-13,16H,3,10-11,14-15H2,1-2H3,(H,24,25);3-6,9-11,14H,2,7-8,12-13H2,1H3,(H2,22,24)(H,23,25);3-8,11-12,15H,2,9-10,13-14H2,1H3,(H,22,24);6-7,11-12,14-15H,2-4,9-10,13H2,1H3,(H,21,22);3-6,9-10,12-13H,2,7-8,11H2,1H3,(H,20,21);4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,18,23)(H,19,20);3-4,7-8,10H,5-6,9H2,1-2H3,(H,16,17)(H,18,21).
What are the key properties of (2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?
(2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate has a molecular weight of 2622.03 g/mol, XLogP of 18.64, 35 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;3-cyclopropyl-N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]prop-2-ynamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]imidazole-1-carboxamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methoxy-1-methylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propan-2-ylurea;(4-methylsulfonylphenyl)methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;pyridin-2-ylmethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate is sourced from PubChem (CID 158752407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).