1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(dimethylamino)-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

C135H177N27O24S6 — CID 158803295

IUPAC1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(dimethylamino)-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESCN(C)CCc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)CCc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)c1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2
InChIInChI=1S/C24H32N4O4S.C23H31N5O4S.C23H30N4O4S.C22H29N5O4S.C22H28N4O4S.C21H27N5O4S/c1-27(2)12-10-18-15-21(23-28(18)11-5-13-32-23)33(30,31)26-24(29)25-22-19-8-3-6-16(19)14-17-7-4-9-20(17)22;1-27(2)12-10-19-24-21(22-28(19)11-5-13-32-22)33(30,31)26-23(29)25-20-17-8-3-6-15(17)14-16-7-4-9-18(16)20;1-26(2)14-17-13-20(22-27(17)10-5-11-31-22)32(29,30)25-23(28)24-21-18-8-3-6-15(18)12-16-7-4-9-19(16)21;1-26(2)13-18-23-20(21-27(18)10-5-11-31-21)32(29,30)25-22(28)24-19-16-8-3-6-14(16)12-15-7-4-9-17(15)19;1-25(2)19-13-18(21-26(19)10-5-11-30-21)31(28,29)24-22(27)23-20-16-8-3-6-14(16)12-15-7-4-9-17(15)20;1-25(2)21-23-18(19-26(21)10-5-11-30-19)31(28,29)24-20(27)22-17-15-8-3-6-13(15)12-14-7-4-9-16(14)17/h14-15H,3-13H2,1-2H3,(H2,25,26,29);14H,3-13H2,1-2H3,(H2,25,26,29);12-13H,3-11,14H2,1-2H3,(H2,24,25,28);12H,3-11,13H2,1-2H3,(H2,24,25,28);12-13H,3-11H2,1-2H3,(H2,23,24,27);12H,3-11H2,1-2H3,(H2,22,24,27)
InChIKeyITTKOGLYFUYHRW-UHFFFAOYSA-N
MW2754.47 g/mol
LogP15.20
Rot. Bonds30

About 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(dimethylamino)-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(dimethylamino)-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 158803295) has the molecular formula C135H177N27O24S6 and a molecular weight of 2754.47 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(dimethylamino)-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(dimethylamino)-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
PubChem CID158803295
Molecular FormulaC135H177N27O24S6
Molecular Weight2754.47 g/mol
Exact Mass2752.18
IUPAC Name1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(dimethylamino)-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESCN(C)CCc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)CCc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)c1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2
InChIInChI=1S/C24H32N4O4S.C23H31N5O4S.C23H30N4O4S.C22H29N5O4S.C22H28N4O4S.C21H27N5O4S/c1-27(2)12-10-18-15-21(23-28(18)11-5-13-32-23)33(30,31)26-24(29)25-22-19-8-3-6-16(19)14-17-7-4-9-20(17)22;1-27(2)12-10-19-24-21(22-28(19)11-5-13-32-22)33(30,31)26-23(29)25-20-17-8-3-6-15(17)14-16-7-4-9-18(16)20;1-26(2)14-17-13-20(22-27(17)10-5-11-31-22)32(29,30)25-23(28)24-21-18-8-3-6-15(18)12-16-7-4-9-19(16)21;1-26(2)13-18-23-20(21-27(18)10-5-11-31-21)32(29,30)25-22(28)24-19-16-8-3-6-14(16)12-15-7-4-9-17(15)19;1-25(2)19-13-18(21-26(19)10-5-11-30-21)31(28,29)24-22(27)23-20-16-8-3-6-14(16)12-15-7-4-9-17(15)20;1-25(2)21-23-18(19-26(21)10-5-11-30-19)31(28,29)24-20(27)22-17-15-8-3-6-13(15)12-14-7-4-9-16(14)17/h14-15H,3-13H2,1-2H3,(H2,25,26,29);14H,3-13H2,1-2H3,(H2,25,26,29);12-13H,3-11,14H2,1-2H3,(H2,24,25,28);12H,3-11,13H2,1-2H3,(H2,24,25,28);12-13H,3-11H2,1-2H3,(H2,23,24,27);12H,3-11H2,1-2H3,(H2,22,24,27)
InChIKeyITTKOGLYFUYHRW-UHFFFAOYSA-N
XLogP15.20
TPSA594.69 Ų
H-Bond Donors12
H-Bond Acceptors39
Rotatable Bonds30
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002754.47
LogP ≤ 515.20
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1039

Analyze 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(dimethylamino)-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea with MolForge

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Related Compounds

1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 167667142
1-(3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 135241185
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 135240787
CID 175825031
CID 175825031
1-[1-cyclopropyl-5-[(dimethylamino)methyl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 159265974
1-(2,5-dimethyltriazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 164724230
CID 175753183
CID 175753183
1-[[1-[2-(dimethylamino)ethyl]-6-oxo-3-pyridinyl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137402954
1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137403949
CID 175753214
CID 175753214
5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazole-3-sulfonamide;1-[5-[2-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate
CID 158130576
CID 175947030
CID 175947030

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(dimethylamino)-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The IUPAC name of 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(dimethylamino)-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 158803295) is 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(dimethylamino)-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.
What is the SMILES notation for 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(dimethylamino)-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The canonical SMILES for 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(dimethylamino)-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is CN(C)CCc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)CCc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)c1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.
What is the InChIKey of 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(dimethylamino)-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The InChIKey is ITTKOGLYFUYHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S.C23H31N5O4S.C23H30N4O4S.C22H29N5O4S.C22H28N4O4S.C21H27N5O4S/c1-27(2)12-10-18-15-21(23-28(18)11-5-13-32-23)33(30,31)26-24(29)25-22-19-8-3-6-16(19)14-17-7-4-9-20(17)22;1-27(2)12-10-19-24-21(22-28(19)11-5-13-32-22)33(30,31)26-23(29)25-20-17-8-3-6-15(17)14-16-7-4-9-18(16)20;1-26(2)14-17-13-20(22-27(17)10-5-11-31-22)32(29,30)25-23(28)24-21-18-8-3-6-15(18)12-16-7-4-9-19(16)21;1-26(2)13-18-23-20(21-27(18)10-5-11-31-21)32(29,30)25-22(28)24-19-16-8-3-6-14(16)12-15-7-4-9-17(15)19;1-25(2)19-13-18(21-26(19)10-5-11-30-21)31(28,29)24-22(27)23-20-16-8-3-6-14(16)12-15-7-4-9-17(15)20;1-25(2)21-23-18(19-26(21)10-5-11-30-19)31(28,29)24-20(27)22-17-15-8-3-6-13(15)12-14-7-4-9-16(14)17/h14-15H,3-13H2,1-2H3,(H2,25,26,29);14H,3-13H2,1-2H3,(H2,25,26,29);12-13H,3-11,14H2,1-2H3,(H2,24,25,28);12H,3-11,13H2,1-2H3,(H2,24,25,28);12-13H,3-11H2,1-2H3,(H2,23,24,27);12H,3-11H2,1-2H3,(H2,22,24,27).
What are the key properties of 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(dimethylamino)-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(dimethylamino)-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 2754.47 g/mol, XLogP of 15.20, 30 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-(dimethylamino)-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-pyrrolo[2,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 158803295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).