6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one

C202H257N29O30 — CID 167535939

IUPAC6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one
SMILESCC1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.CN(C)CCn1c(=O)oc2cc(C3CCNC(C)(C)C3)ccc21.CN1CCC(n2c(=O)oc3cc(C4CCNCC4)ccc32)CC1.C[C@@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.C[C@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.Cn1c(=O)oc2c(C3CCNCC3)cccc21.Cn1c(=O)oc2cc(C3CC4CCC(C3)N4)ccc21.Cn1c(=O)oc2cc(C3CCCCC3)ccc21.Cn1c(=O)oc2cc(C3CCNC(=O)C3)ccc21.Cn1c(=O)oc2cc(C3CCNC(C)(C)C3)ccc21.Cn1c(=O)oc2cc(C3CCNC4(COC4)C3)ccc21.Cn1c(=O)oc2cc(C3CCNCC3)ccc21.Cn1c(=O)oc2ccc(C3CCNCC3)cc21.Cn1c(=O)oc2cccc(C3CCNCC3)c21
InChIInChI=1S/C18H25N3O2.C18H27N3O2.C15H18N2O3.C15H18N2O2.C15H20N2O2.3C14H18N2O2.C14H17NO2.C13H14N2O3.4C13H16N2O2/c1-20-10-6-15(7-11-20)21-16-3-2-14(12-17(16)23-18(21)22)13-4-8-19-9-5-13;1-18(2)12-14(7-8-19-18)13-5-6-15-16(11-13)23-17(22)21(15)10-9-20(3)4;1-17-12-3-2-10(6-13(12)20-14(17)18)11-4-5-16-15(7-11)8-19-9-15;1-17-13-5-2-9(8-14(13)19-15(17)18)10-6-11-3-4-12(7-10)16-11;1-15(2)9-11(6-7-16-15)10-4-5-12-13(8-10)19-14(18)17(12)3;3*1-9-7-11(5-6-15-9)10-3-4-12-13(8-10)18-14(17)16(12)2;1-15-12-8-7-11(9-13(12)17-14(15)16)10-5-3-2-4-6-10;1-15-10-3-2-8(6-11(10)18-13(15)17)9-4-5-14-12(16)7-9;1-15-11-8-10(9-4-6-14-7-5-9)2-3-12(11)17-13(15)16;1-15-11-3-2-10(8-12(11)17-13(15)16)9-4-6-14-7-5-9;1-15-12-10(9-5-7-14-8-6-9)3-2-4-11(12)17-13(15)16;1-15-11-4-2-3-10(12(11)17-13(15)16)9-5-7-14-8-6-9/h2-3,12-13,15,19H,4-11H2,1H3;5-6,11,14,19H,7-10,12H2,1-4H3;2-3,6,11,16H,4-5,7-9H2,1H3;2,5,8,10-12,16H,3-4,6-7H2,1H3;4-5,8,11,16H,6-7,9H2,1-3H3;3*3-4,8-9,11,15H,5-7H2,1-2H3;7-10H,2-6H2,1H3;2-3,6,9H,4-5,7H2,1H3,(H,14,16);2*2-3,8-9,14H,4-7H2,1H3;2*2-4,9,14H,5-8H2,1H3/t;;;;;2*9-,11?;;;;;;;/m.....10......./s1
InChIKeyAOHDBJDXNOUMTJ-UIYADYBOSA-N
MW3571.45 g/mol
LogP27.26
Rot. Bonds18

About 6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one

6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one (PubChem CID 167535939) has the molecular formula C202H257N29O30 and a molecular weight of 3571.45 g/mol. Its IUPAC name is 6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one
PubChem CID167535939
Molecular FormulaC202H257N29O30
Molecular Weight3571.45 g/mol
Exact Mass3568.95
IUPAC Name6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one
SMILESCC1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.CN(C)CCn1c(=O)oc2cc(C3CCNC(C)(C)C3)ccc21.CN1CCC(n2c(=O)oc3cc(C4CCNCC4)ccc32)CC1.C[C@@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.C[C@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.Cn1c(=O)oc2c(C3CCNCC3)cccc21.Cn1c(=O)oc2cc(C3CC4CCC(C3)N4)ccc21.Cn1c(=O)oc2cc(C3CCCCC3)ccc21.Cn1c(=O)oc2cc(C3CCNC(=O)C3)ccc21.Cn1c(=O)oc2cc(C3CCNC(C)(C)C3)ccc21.Cn1c(=O)oc2cc(C3CCNC4(COC4)C3)ccc21.Cn1c(=O)oc2cc(C3CCNCC3)ccc21.Cn1c(=O)oc2ccc(C3CCNCC3)cc21.Cn1c(=O)oc2cccc(C3CCNCC3)c21
InChIInChI=1S/C18H25N3O2.C18H27N3O2.C15H18N2O3.C15H18N2O2.C15H20N2O2.3C14H18N2O2.C14H17NO2.C13H14N2O3.4C13H16N2O2/c1-20-10-6-15(7-11-20)21-16-3-2-14(12-17(16)23-18(21)22)13-4-8-19-9-5-13;1-18(2)12-14(7-8-19-18)13-5-6-15-16(11-13)23-17(22)21(15)10-9-20(3)4;1-17-12-3-2-10(6-13(12)20-14(17)18)11-4-5-16-15(7-11)8-19-9-15;1-17-13-5-2-9(8-14(13)19-15(17)18)10-6-11-3-4-12(7-10)16-11;1-15(2)9-11(6-7-16-15)10-4-5-12-13(8-10)19-14(18)17(12)3;3*1-9-7-11(5-6-15-9)10-3-4-12-13(8-10)18-14(17)16(12)2;1-15-12-8-7-11(9-13(12)17-14(15)16)10-5-3-2-4-6-10;1-15-10-3-2-8(6-11(10)18-13(15)17)9-4-5-14-12(16)7-9;1-15-11-8-10(9-4-6-14-7-5-9)2-3-12(11)17-13(15)16;1-15-11-3-2-10(8-12(11)17-13(15)16)9-4-6-14-7-5-9;1-15-12-10(9-5-7-14-8-6-9)3-2-4-11(12)17-13(15)16;1-15-11-4-2-3-10(12(11)17-13(15)16)9-5-7-14-8-6-9/h2-3,12-13,15,19H,4-11H2,1H3;5-6,11,14,19H,7-10,12H2,1-4H3;2-3,6,11,16H,4-5,7-9H2,1H3;2,5,8,10-12,16H,3-4,6-7H2,1H3;4-5,8,11,16H,6-7,9H2,1-3H3;3*3-4,8-9,11,15H,5-7H2,1-2H3;7-10H,2-6H2,1H3;2-3,6,9H,4-5,7H2,1H3,(H,14,16);2*2-3,8-9,14H,4-7H2,1H3;2*2-4,9,14H,5-8H2,1H3/t;;;;;2*9-,11?;;;;;;;/m.....10......./s1
InChIKeyAOHDBJDXNOUMTJ-UIYADYBOSA-N
XLogP27.26
TPSA681.13 Ų
H-Bond Donors13
H-Bond Acceptors58
Rotatable Bonds18
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003571.45
LogP ≤ 527.26
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1058

Analyze 6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one with MolForge

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Related Compounds

(2S)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(3-ethylphenyl)acetyl]amino]-3-phenylpropanamide;(2S)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(3-methoxyphenyl)acetyl]amino]-3-phenylpropanamide;(2S)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(1-methyl-2,3-dihydroindol-5-yl)acetyl]amino]-3-phenylpropanamide;(2S)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(3-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 157257899
bis(4-tert-butyl-3H-1,3-benzoxazol-2-one);6-tert-butyl-3H-1,3-benzoxazol-2-one;7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;4-tert-butyl-3-methyl-1,3-benzoxazol-2-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one
CID 157583841
7-tert-butyl-3H-1,3-benzoxazol-2-one;8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;8-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-3-methyl-1,3-benzoxazol-2-one;6-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;4-tert-butyl-3-methyl-2-methylidene-1,3-benzoxazole
CID 161390909
methane;6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-1,3-dihydroindol-2-one;6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamino]-1,3-dihydroindol-2-one;5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-1,3-dihydroindol-2-one;5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dihydroindol-2-one;7-[4-[3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one;7-[4-[4-[(2-oxo-1,3-dihydroindol-6-yl)oxy]butyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one;7-[4-[3-[(2-oxo-1,3-dihydroindol-5-yl)oxy]propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 161536529
4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine;2-methyl-4-propan-2-yl-2,3-dihydro-1,3-benzoxazole;2-methyl-5-propan-2-yl-2,3-dihydro-1,3-benzoxazole;2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;2-methyl-7-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;8-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-yl-2,3-dihydro-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;7-propan-2-yl-2,3-dihydro-1,3-benzoxazole
CID 161667609
ethane;6-methylidene-3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)piperidin-2-one;6-methylidene-3-(2-oxo-3-phenylimidazolidin-1-yl)piperidin-2-one;bis(6-methylidene-3-(2-oxo-4-phenyl-3-propan-2-ylimidazolidin-1-yl)piperidin-2-one);3-(6-methylidene-2-oxopiperidin-3-yl)-1,3-benzoxazol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-3H-indol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-5-phenyl-1,3-oxazolidin-2-one;6-methylidene-3-(2-oxo-3-propan-2-ylimidazol-1-yl)piperidin-2-one;pentakis(2-methylpropane)
CID 164954923
ethane;6-methylidene-3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)piperidin-2-one;bis(6-methylidene-3-(2-oxo-4-phenyl-3-propan-2-ylimidazolidin-1-yl)piperidin-2-one);3-(6-methylidene-2-oxopiperidin-3-yl)-1,3-benzoxazol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-3H-indol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-5-phenyl-1,3-oxazolidin-2-one;6-methylidene-3-(2-oxo-3-propan-2-ylimidazol-1-yl)piperidin-2-one;tetrakis(2-methylpropane)
CID 165067283
tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 2-methyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 3-(2-oxo-3H-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 2-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate
CID 167553620
CID 167553872
CID 167553872
6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one
CID 167564020
Benzyl 3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;benzyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;6-(5,5-dimethylmorpholin-3-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-morpholin-3-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-2-yl-1,3-benzoxazol-2-one;3-methyl-6-pyrrolidin-2-yl-1,3-benzoxazol-2-one
CID 167565384
6-(8-Azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5-azaspiro[3.5]nonan-8-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one
CID 167572338

Frequently Asked Questions

What is the IUPAC name of 6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one (CID 167535939) is 6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one is CC1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.CN(C)CCn1c(=O)oc2cc(C3CCNC(C)(C)C3)ccc21.CN1CCC(n2c(=O)oc3cc(C4CCNCC4)ccc32)CC1.C[C@@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.C[C@H]1CC(c2ccc3c(c2)oc(=O)n3C)CCN1.Cn1c(=O)oc2c(C3CCNCC3)cccc21.Cn1c(=O)oc2cc(C3CC4CCC(C3)N4)ccc21.Cn1c(=O)oc2cc(C3CCCCC3)ccc21.Cn1c(=O)oc2cc(C3CCNC(=O)C3)ccc21.Cn1c(=O)oc2cc(C3CCNC(C)(C)C3)ccc21.Cn1c(=O)oc2cc(C3CCNC4(COC4)C3)ccc21.Cn1c(=O)oc2cc(C3CCNCC3)ccc21.Cn1c(=O)oc2ccc(C3CCNCC3)cc21.Cn1c(=O)oc2cccc(C3CCNCC3)c21.
What is the InChIKey of 6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one?
The InChIKey is AOHDBJDXNOUMTJ-UIYADYBOSA-N. The full InChI is InChI=1S/C18H25N3O2.C18H27N3O2.C15H18N2O3.C15H18N2O2.C15H20N2O2.3C14H18N2O2.C14H17NO2.C13H14N2O3.4C13H16N2O2/c1-20-10-6-15(7-11-20)21-16-3-2-14(12-17(16)23-18(21)22)13-4-8-19-9-5-13;1-18(2)12-14(7-8-19-18)13-5-6-15-16(11-13)23-17(22)21(15)10-9-20(3)4;1-17-12-3-2-10(6-13(12)20-14(17)18)11-4-5-16-15(7-11)8-19-9-15;1-17-13-5-2-9(8-14(13)19-15(17)18)10-6-11-3-4-12(7-10)16-11;1-15(2)9-11(6-7-16-15)10-4-5-12-13(8-10)19-14(18)17(12)3;3*1-9-7-11(5-6-15-9)10-3-4-12-13(8-10)18-14(17)16(12)2;1-15-12-8-7-11(9-13(12)17-14(15)16)10-5-3-2-4-6-10;1-15-10-3-2-8(6-11(10)18-13(15)17)9-4-5-14-12(16)7-9;1-15-11-8-10(9-4-6-14-7-5-9)2-3-12(11)17-13(15)16;1-15-11-3-2-10(8-12(11)17-13(15)16)9-4-6-14-7-5-9;1-15-12-10(9-5-7-14-8-6-9)3-2-4-11(12)17-13(15)16;1-15-11-4-2-3-10(12(11)17-13(15)16)9-5-7-14-8-6-9/h2-3,12-13,15,19H,4-11H2,1H3;5-6,11,14,19H,7-10,12H2,1-4H3;2-3,6,11,16H,4-5,7-9H2,1H3;2,5,8,10-12,16H,3-4,6-7H2,1H3;4-5,8,11,16H,6-7,9H2,1-3H3;3*3-4,8-9,11,15H,5-7H2,1-2H3;7-10H,2-6H2,1H3;2-3,6,9H,4-5,7H2,1H3,(H,14,16);2*2-3,8-9,14H,4-7H2,1H3;2*2-4,9,14H,5-8H2,1H3/t;;;;;2*9-,11?;;;;;;;/m.....10......./s1.
What are the key properties of 6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one?
6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one has a molecular weight of 3571.45 g/mol, XLogP of 27.26, 18 rotatable bonds, 13 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 167535939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).