3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1,3-dihydroindol-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one

C243H331N45O26S6 — CID 162105048

IUPAC3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1,3-dihydroindol-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCC(C)c1cc2c(cn1)NC(=O)C2C(C)C.CC(C)c1cc2c(cn1)[nH]c(=O)n2C(C)C.CC(C)c1cc2c(cn1)oc(=O)n2C(C)C.CC(C)c1cc2c(cn1)sc(=O)n2C(C)C.CC(C)c1ccc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ccc2c(c1)C(C(C)C)C(=O)N2.CC(C)c1ccc2c(n1)C(C(C)C)C(=O)N2.CC(C)c1ccc2oc(=O)n(C(C)C)c2c1.CC(C)c1ccc2oc(=O)n(C(C)C)c2n1.CC(C)c1ccc2sc(=O)n(C(C)C)c2c1.CC(C)c1ccc2sc(=O)n(C(C)C)c2n1.CC(C)c1cnc2c(c1)C(C(C)C)C(=O)N2.CC(C)c1cnc2c(n1)C(C(C)C)C(=O)N2.CC(C)c1cnc2oc(=O)n(C(C)C)c2c1.CC(C)c1cnc2oc(=O)n(C(C)C)c2n1.CC(C)c1cnc2sc(=O)n(C(C)C)c2c1.CC(C)c1cnc2sc(=O)n(C(C)C)c2n1.CC(C)c1ncc2c(n1)C(C(C)C)C(=O)N2.CC(C)c1ncc2oc(=O)n(C(C)C)c2n1.CC(C)c1ncc2sc(=O)n(C(C)C)c2n1
InChIInChI=1S/C14H19NO.3C13H18N2O.C13H17NO2.C13H17NOS.4C12H17N3O.3C12H16N2O2.3C12H16N2OS.2C11H15N3O2.2C11H15N3OS/c1-8(2)10-5-6-12-11(7-10)13(9(3)4)14(16)15-12;1-7(2)10-5-9-11(6-14-10)15-13(16)12(9)8(3)4;1-7(2)9-5-10-11(8(3)4)13(16)15-12(10)14-6-9;1-7(2)9-5-6-10-12(14-9)11(8(3)4)13(16)15-10;2*1-8(2)10-5-6-12-11(7-10)14(9(3)4)13(15)16-12;1-7(2)9-5-11-10(6-13-9)14-12(16)15(11)8(3)4;1-7(2)9-5-6-10-11(13-9)15(8(3)4)12(16)14-10;1-6(2)9-10-8(14-12(9)16)5-13-11(15-10)7(3)4;1-6(2)8-5-13-11-10(14-8)9(7(3)4)12(16)15-11;1-7(2)9-5-10-11(6-13-9)16-12(15)14(10)8(3)4;1-7(2)9-5-10-11(13-6-9)16-12(15)14(10)8(3)4;1-7(2)9-5-6-10-11(13-9)14(8(3)4)12(15)16-10;1-7(2)9-5-10-11(6-13-9)16-12(15)14(10)8(3)4;1-7(2)9-5-10-11(13-6-9)16-12(15)14(10)8(3)4;1-7(2)9-5-6-10-11(13-9)14(8(3)4)12(15)16-10;1-6(2)9-12-5-8-10(13-9)14(7(3)4)11(15)16-8;1-6(2)8-5-12-10-9(13-8)14(7(3)4)11(15)16-10;1-6(2)9-12-5-8-10(13-9)14(7(3)4)11(15)16-8;1-6(2)8-5-12-10-9(13-8)14(7(3)4)11(15)16-10/h5-9,13H,1-4H3,(H,15,16);5-8,12H,1-4H3,(H,15,16);5-8,11H,1-4H3,(H,14,15,16);5-8,11H,1-4H3,(H,15,16);2*5-9H,1-4H3;2*5-8H,1-4H3,(H,14,16);5-7,9H,1-4H3,(H,14,16);5-7,9H,1-4H3,(H,13,15,16);6*5-8H,1-4H3;4*5-7H,1-4H3
InChIKeyZFJUDXAIXARHLK-UHFFFAOYSA-N
MW4491.01 g/mol
LogP55.56
Rot. Bonds40

About 3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1,3-dihydroindol-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one

3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1,3-dihydroindol-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one (PubChem CID 162105048) has the molecular formula C243H331N45O26S6 and a molecular weight of 4491.01 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1,3-dihydroindol-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1,3-dihydroindol-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
PubChem CID162105048
Molecular FormulaC243H331N45O26S6
Molecular Weight4491.01 g/mol
Exact Mass4487.43
IUPAC Name3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1,3-dihydroindol-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCC(C)c1cc2c(cn1)NC(=O)C2C(C)C.CC(C)c1cc2c(cn1)[nH]c(=O)n2C(C)C.CC(C)c1cc2c(cn1)oc(=O)n2C(C)C.CC(C)c1cc2c(cn1)sc(=O)n2C(C)C.CC(C)c1ccc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ccc2c(c1)C(C(C)C)C(=O)N2.CC(C)c1ccc2c(n1)C(C(C)C)C(=O)N2.CC(C)c1ccc2oc(=O)n(C(C)C)c2c1.CC(C)c1ccc2oc(=O)n(C(C)C)c2n1.CC(C)c1ccc2sc(=O)n(C(C)C)c2c1.CC(C)c1ccc2sc(=O)n(C(C)C)c2n1.CC(C)c1cnc2c(c1)C(C(C)C)C(=O)N2.CC(C)c1cnc2c(n1)C(C(C)C)C(=O)N2.CC(C)c1cnc2oc(=O)n(C(C)C)c2c1.CC(C)c1cnc2oc(=O)n(C(C)C)c2n1.CC(C)c1cnc2sc(=O)n(C(C)C)c2c1.CC(C)c1cnc2sc(=O)n(C(C)C)c2n1.CC(C)c1ncc2c(n1)C(C(C)C)C(=O)N2.CC(C)c1ncc2oc(=O)n(C(C)C)c2n1.CC(C)c1ncc2sc(=O)n(C(C)C)c2n1
InChIInChI=1S/C14H19NO.3C13H18N2O.C13H17NO2.C13H17NOS.4C12H17N3O.3C12H16N2O2.3C12H16N2OS.2C11H15N3O2.2C11H15N3OS/c1-8(2)10-5-6-12-11(7-10)13(9(3)4)14(16)15-12;1-7(2)10-5-9-11(6-14-10)15-13(16)12(9)8(3)4;1-7(2)9-5-10-11(8(3)4)13(16)15-12(10)14-6-9;1-7(2)9-5-6-10-12(14-9)11(8(3)4)13(16)15-10;2*1-8(2)10-5-6-12-11(7-10)14(9(3)4)13(15)16-12;1-7(2)9-5-11-10(6-13-9)14-12(16)15(11)8(3)4;1-7(2)9-5-6-10-11(13-9)15(8(3)4)12(16)14-10;1-6(2)9-10-8(14-12(9)16)5-13-11(15-10)7(3)4;1-6(2)8-5-13-11-10(14-8)9(7(3)4)12(16)15-11;1-7(2)9-5-10-11(6-13-9)16-12(15)14(10)8(3)4;1-7(2)9-5-10-11(13-6-9)16-12(15)14(10)8(3)4;1-7(2)9-5-6-10-11(13-9)14(8(3)4)12(15)16-10;1-7(2)9-5-10-11(6-13-9)16-12(15)14(10)8(3)4;1-7(2)9-5-10-11(13-6-9)16-12(15)14(10)8(3)4;1-7(2)9-5-6-10-11(13-9)14(8(3)4)12(15)16-10;1-6(2)9-12-5-8-10(13-9)14(7(3)4)11(15)16-8;1-6(2)8-5-12-10-9(13-8)14(7(3)4)11(15)16-10;1-6(2)9-12-5-8-10(13-9)14(7(3)4)11(15)16-8;1-6(2)8-5-12-10-9(13-8)14(7(3)4)11(15)16-10/h5-9,13H,1-4H3,(H,15,16);5-8,12H,1-4H3,(H,15,16);5-8,11H,1-4H3,(H,14,15,16);5-8,11H,1-4H3,(H,15,16);2*5-9H,1-4H3;2*5-8H,1-4H3,(H,14,16);5-7,9H,1-4H3,(H,14,16);5-7,9H,1-4H3,(H,13,15,16);6*5-8H,1-4H3;4*5-7H,1-4H3
InChIKeyZFJUDXAIXARHLK-UHFFFAOYSA-N
XLogP55.56
TPSA889.49 Ų
H-Bond Donors8
H-Bond Acceptors69
Rotatable Bonds40
Heavy Atoms320
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004491.01
LogP ≤ 555.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1069

Analyze 3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1,3-dihydroindol-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one with MolForge

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What is the IUPAC name of 3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1,3-dihydroindol-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The IUPAC name of 3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1,3-dihydroindol-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one (CID 162105048) is 3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1,3-dihydroindol-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1,3-dihydroindol-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The canonical SMILES for 3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1,3-dihydroindol-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one is CC(C)c1cc2c(cn1)NC(=O)C2C(C)C.CC(C)c1cc2c(cn1)[nH]c(=O)n2C(C)C.CC(C)c1cc2c(cn1)oc(=O)n2C(C)C.CC(C)c1cc2c(cn1)sc(=O)n2C(C)C.CC(C)c1ccc2[nH]c(=O)n(C(C)C)c2n1.CC(C)c1ccc2c(c1)C(C(C)C)C(=O)N2.CC(C)c1ccc2c(n1)C(C(C)C)C(=O)N2.CC(C)c1ccc2oc(=O)n(C(C)C)c2c1.CC(C)c1ccc2oc(=O)n(C(C)C)c2n1.CC(C)c1ccc2sc(=O)n(C(C)C)c2c1.CC(C)c1ccc2sc(=O)n(C(C)C)c2n1.CC(C)c1cnc2c(c1)C(C(C)C)C(=O)N2.CC(C)c1cnc2c(n1)C(C(C)C)C(=O)N2.CC(C)c1cnc2oc(=O)n(C(C)C)c2c1.CC(C)c1cnc2oc(=O)n(C(C)C)c2n1.CC(C)c1cnc2sc(=O)n(C(C)C)c2c1.CC(C)c1cnc2sc(=O)n(C(C)C)c2n1.CC(C)c1ncc2c(n1)C(C(C)C)C(=O)N2.CC(C)c1ncc2oc(=O)n(C(C)C)c2n1.CC(C)c1ncc2sc(=O)n(C(C)C)c2n1.
What is the InChIKey of 3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1,3-dihydroindol-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The InChIKey is ZFJUDXAIXARHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.3C13H18N2O.C13H17NO2.C13H17NOS.4C12H17N3O.3C12H16N2O2.3C12H16N2OS.2C11H15N3O2.2C11H15N3OS/c1-8(2)10-5-6-12-11(7-10)13(9(3)4)14(16)15-12;1-7(2)10-5-9-11(6-14-10)15-13(16)12(9)8(3)4;1-7(2)9-5-10-11(8(3)4)13(16)15-12(10)14-6-9;1-7(2)9-5-6-10-12(14-9)11(8(3)4)13(16)15-10;2*1-8(2)10-5-6-12-11(7-10)14(9(3)4)13(15)16-12;1-7(2)9-5-11-10(6-13-9)14-12(16)15(11)8(3)4;1-7(2)9-5-6-10-11(13-9)15(8(3)4)12(16)14-10;1-6(2)9-10-8(14-12(9)16)5-13-11(15-10)7(3)4;1-6(2)8-5-13-11-10(14-8)9(7(3)4)12(16)15-11;1-7(2)9-5-10-11(6-13-9)16-12(15)14(10)8(3)4;1-7(2)9-5-10-11(13-6-9)16-12(15)14(10)8(3)4;1-7(2)9-5-6-10-11(13-9)14(8(3)4)12(15)16-10;1-7(2)9-5-10-11(6-13-9)16-12(15)14(10)8(3)4;1-7(2)9-5-10-11(13-6-9)16-12(15)14(10)8(3)4;1-7(2)9-5-6-10-11(13-9)14(8(3)4)12(15)16-10;1-6(2)9-12-5-8-10(13-9)14(7(3)4)11(15)16-8;1-6(2)8-5-12-10-9(13-8)14(7(3)4)11(15)16-10;1-6(2)9-12-5-8-10(13-9)14(7(3)4)11(15)16-8;1-6(2)8-5-12-10-9(13-8)14(7(3)4)11(15)16-10/h5-9,13H,1-4H3,(H,15,16);5-8,12H,1-4H3,(H,15,16);5-8,11H,1-4H3,(H,14,15,16);5-8,11H,1-4H3,(H,15,16);2*5-9H,1-4H3;2*5-8H,1-4H3,(H,14,16);5-7,9H,1-4H3,(H,14,16);5-7,9H,1-4H3,(H,13,15,16);6*5-8H,1-4H3;4*5-7H,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1,3-dihydroindol-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1,3-dihydroindol-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one has a molecular weight of 4491.01 g/mol, XLogP of 55.56, 40 rotatable bonds, 8 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1,3-benzothiazol-2-one;3,5-di(propan-2-yl)-1,3-benzoxazol-2-one;3,5-di(propan-2-yl)-1,3-dihydroindol-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;3,5-di(propan-2-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one;2,7-di(propan-2-yl)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one;3,5-di(propan-2-yl)-1H-imidazo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-one;1,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridin-2-one;3,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 162105048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).