N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-ethylpropanamide;N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N,3-dimethylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxy-N-methylacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]butan-2-one;methyl 2-[4-[cyano(1H-imidazol-5-yl)methyl]-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]acetate

C135H163FN34O19 — CID 158124598

IUPACN-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-ethylpropanamide;N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N,3-dimethylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxy-N-methylacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]butan-2-one;methyl 2-[4-[cyano(1H-imidazol-5-yl)methyl]-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]acetate
SMILESCC(C)CC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCC(=O)Cc1ccc2c(n1)N(Cc1cnc[nH]1)CCO2.CCC(=O)N(C)c1ccc2c(c1)N(C(C#N)c1cnc[nH]1)CCO2.CCC(=O)N(CC)c1ccc2c(c1)N(C(C#N)c1cnc[nH]1)CCO2.CCCC(=O)N(CC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)COC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.COC(=O)Cc1cc(F)c2c(c1)N(C(C#N)c1cnc[nH]1)CCO2.COCC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2
InChIInChI=1S/C18H21N5O2.2C18H24N4O2.C17H19N5O2.C17H22N4O3.C16H15FN4O3.C16H20N4O3.C15H18N4O2/c1-3-18(24)22(4-2)13-5-6-17-15(9-13)23(7-8-25-17)16(10-19)14-11-20-12-21-14;1-13(2)8-18(23)21(3)15-4-5-17-16(9-15)22(6-7-24-17)11-14-10-19-12-20-14;1-3-5-18(23)22(4-2)15-6-7-17-16(10-15)21(8-9-24-17)12-14-11-19-13-20-14;1-3-17(23)21(2)12-4-5-16-14(8-12)22(6-7-24-16)15(9-18)13-10-19-11-20-13;1-3-21(17(22)11-23-2)14-4-5-16-15(8-14)20(6-7-24-16)10-13-9-18-12-19-13;1-23-15(22)6-10-4-11(17)16-13(5-10)21(2-3-24-16)14(7-18)12-8-19-9-20-12;1-19(16(21)10-22-2)13-3-4-15-14(7-13)20(5-6-23-15)9-12-8-17-11-18-12;1-2-13(20)7-11-3-4-14-15(18-11)19(5-6-21-14)9-12-8-16-10-17-12/h5-6,9,11-12,16H,3-4,7-8H2,1-2H3,(H,20,21);4-5,9-10,12-13H,6-8,11H2,1-3H3,(H,19,20);6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,19,20);4-5,8,10-11,15H,3,6-7H2,1-2H3,(H,19,20);4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,19);4-5,8-9,14H,2-3,6H2,1H3,(H,19,20);3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,17,18);3-4,8,10H,2,5-7,9H2,1H3,(H,16,17)
InChIKeyFRZXBTQRLKLRSE-UHFFFAOYSA-N
MW2585.01 g/mol
LogP17.34
Rot. Bonds40

About N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-ethylpropanamide;N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N,3-dimethylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxy-N-methylacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]butan-2-one;methyl 2-[4-[cyano(1H-imidazol-5-yl)methyl]-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]acetate

N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-ethylpropanamide;N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N,3-dimethylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxy-N-methylacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]butan-2-one;methyl 2-[4-[cyano(1H-imidazol-5-yl)methyl]-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]acetate (PubChem CID 158124598) has the molecular formula C135H163FN34O19 and a molecular weight of 2585.01 g/mol. Its IUPAC name is N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-ethylpropanamide;N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N,3-dimethylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxy-N-methylacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]butan-2-one;methyl 2-[4-[cyano(1H-imidazol-5-yl)methyl]-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]acetate.

Molecular Properties

Compound NameN-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-ethylpropanamide;N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N,3-dimethylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxy-N-methylacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]butan-2-one;methyl 2-[4-[cyano(1H-imidazol-5-yl)methyl]-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]acetate
PubChem CID158124598
Molecular FormulaC135H163FN34O19
Molecular Weight2585.01 g/mol
Exact Mass2583.28
IUPAC NameN-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-ethylpropanamide;N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N,3-dimethylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxy-N-methylacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]butan-2-one;methyl 2-[4-[cyano(1H-imidazol-5-yl)methyl]-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]acetate
SMILESCC(C)CC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCC(=O)Cc1ccc2c(n1)N(Cc1cnc[nH]1)CCO2.CCC(=O)N(C)c1ccc2c(c1)N(C(C#N)c1cnc[nH]1)CCO2.CCC(=O)N(CC)c1ccc2c(c1)N(C(C#N)c1cnc[nH]1)CCO2.CCCC(=O)N(CC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)COC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.COC(=O)Cc1cc(F)c2c(c1)N(C(C#N)c1cnc[nH]1)CCO2.COCC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2
InChIInChI=1S/C18H21N5O2.2C18H24N4O2.C17H19N5O2.C17H22N4O3.C16H15FN4O3.C16H20N4O3.C15H18N4O2/c1-3-18(24)22(4-2)13-5-6-17-15(9-13)23(7-8-25-17)16(10-19)14-11-20-12-21-14;1-13(2)8-18(23)21(3)15-4-5-17-16(9-15)22(6-7-24-17)11-14-10-19-12-20-14;1-3-5-18(23)22(4-2)15-6-7-17-16(10-15)21(8-9-24-17)12-14-11-19-13-20-14;1-3-17(23)21(2)12-4-5-16-14(8-12)22(6-7-24-16)15(9-18)13-10-19-11-20-13;1-3-21(17(22)11-23-2)14-4-5-16-15(8-14)20(6-7-24-16)10-13-9-18-12-19-13;1-23-15(22)6-10-4-11(17)16-13(5-10)21(2-3-24-16)14(7-18)12-8-19-9-20-12;1-19(16(21)10-22-2)13-3-4-15-14(7-13)20(5-6-23-15)9-12-8-17-11-18-12;1-2-13(20)7-11-3-4-14-15(18-11)19(5-6-21-14)9-12-8-16-10-17-12/h5-6,9,11-12,16H,3-4,7-8H2,1-2H3,(H,20,21);4-5,9-10,12-13H,6-8,11H2,1-3H3,(H,19,20);6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,19,20);4-5,8,10-11,15H,3,6-7H2,1-2H3,(H,19,20);4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,19);4-5,8-9,14H,2-3,6H2,1H3,(H,19,20);3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,17,18);3-4,8,10H,2,5-7,9H2,1H3,(H,16,17)
InChIKeyFRZXBTQRLKLRSE-UHFFFAOYSA-N
XLogP17.34
TPSA597.15 Ų
H-Bond Donors8
H-Bond Acceptors39
Rotatable Bonds40
Heavy Atoms189
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002585.01
LogP ≤ 517.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1039

Analyze N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-ethylpropanamide;N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N,3-dimethylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxy-N-methylacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]butan-2-one;methyl 2-[4-[cyano(1H-imidazol-5-yl)methyl]-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-ethylpropanamide;N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N,3-dimethylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxy-N-methylacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]butan-2-one;methyl 2-[4-[cyano(1H-imidazol-5-yl)methyl]-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]acetate?
The IUPAC name of N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-ethylpropanamide;N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N,3-dimethylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxy-N-methylacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]butan-2-one;methyl 2-[4-[cyano(1H-imidazol-5-yl)methyl]-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]acetate (CID 158124598) is N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-ethylpropanamide;N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N,3-dimethylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxy-N-methylacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]butan-2-one;methyl 2-[4-[cyano(1H-imidazol-5-yl)methyl]-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]acetate.
What is the SMILES notation for N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-ethylpropanamide;N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N,3-dimethylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxy-N-methylacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]butan-2-one;methyl 2-[4-[cyano(1H-imidazol-5-yl)methyl]-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]acetate?
The canonical SMILES for N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-ethylpropanamide;N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N,3-dimethylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxy-N-methylacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]butan-2-one;methyl 2-[4-[cyano(1H-imidazol-5-yl)methyl]-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]acetate is CC(C)CC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCC(=O)Cc1ccc2c(n1)N(Cc1cnc[nH]1)CCO2.CCC(=O)N(C)c1ccc2c(c1)N(C(C#N)c1cnc[nH]1)CCO2.CCC(=O)N(CC)c1ccc2c(c1)N(C(C#N)c1cnc[nH]1)CCO2.CCCC(=O)N(CC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)COC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.COC(=O)Cc1cc(F)c2c(c1)N(C(C#N)c1cnc[nH]1)CCO2.COCC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.
What is the InChIKey of N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-ethylpropanamide;N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N,3-dimethylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxy-N-methylacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]butan-2-one;methyl 2-[4-[cyano(1H-imidazol-5-yl)methyl]-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]acetate?
The InChIKey is FRZXBTQRLKLRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2.2C18H24N4O2.C17H19N5O2.C17H22N4O3.C16H15FN4O3.C16H20N4O3.C15H18N4O2/c1-3-18(24)22(4-2)13-5-6-17-15(9-13)23(7-8-25-17)16(10-19)14-11-20-12-21-14;1-13(2)8-18(23)21(3)15-4-5-17-16(9-15)22(6-7-24-17)11-14-10-19-12-20-14;1-3-5-18(23)22(4-2)15-6-7-17-16(10-15)21(8-9-24-17)12-14-11-19-13-20-14;1-3-17(23)21(2)12-4-5-16-14(8-12)22(6-7-24-16)15(9-18)13-10-19-11-20-13;1-3-21(17(22)11-23-2)14-4-5-16-15(8-14)20(6-7-24-16)10-13-9-18-12-19-13;1-23-15(22)6-10-4-11(17)16-13(5-10)21(2-3-24-16)14(7-18)12-8-19-9-20-12;1-19(16(21)10-22-2)13-3-4-15-14(7-13)20(5-6-23-15)9-12-8-17-11-18-12;1-2-13(20)7-11-3-4-14-15(18-11)19(5-6-21-14)9-12-8-16-10-17-12/h5-6,9,11-12,16H,3-4,7-8H2,1-2H3,(H,20,21);4-5,9-10,12-13H,6-8,11H2,1-3H3,(H,19,20);6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,19,20);4-5,8,10-11,15H,3,6-7H2,1-2H3,(H,19,20);4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,19);4-5,8-9,14H,2-3,6H2,1H3,(H,19,20);3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,17,18);3-4,8,10H,2,5-7,9H2,1H3,(H,16,17).
What are the key properties of N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-ethylpropanamide;N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N,3-dimethylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxy-N-methylacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]butan-2-one;methyl 2-[4-[cyano(1H-imidazol-5-yl)methyl]-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]acetate?
N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-ethylpropanamide;N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N,3-dimethylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxy-N-methylacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]butan-2-one;methyl 2-[4-[cyano(1H-imidazol-5-yl)methyl]-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]acetate has a molecular weight of 2585.01 g/mol, XLogP of 17.34, 40 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-ethylpropanamide;N-[4-[cyano(1H-imidazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butanamide;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N,3-dimethylbutanamide;N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxy-N-methylacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]butan-2-one;methyl 2-[4-[cyano(1H-imidazol-5-yl)methyl]-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl]acetate is sourced from PubChem (CID 158124598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).