6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5,5-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5,8-diazaspiro[3.5]nonane-7,9-dione;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one

C180H229N41O32 — CID 167548710

IUPAC6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5,5-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5,8-diazaspiro[3.5]nonane-7,9-dione;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one
SMILESCC1CN(c2ccc3c(c2)oc(=O)n3C)CC(C)N1.CN(C)CCn1c(=O)oc2cc(N3CCNC(C)(C)C3)ccc21.CN(C)CCn1c(=O)oc2cc(N3CCNCC3)ccc21.C[C@@H]1CN(c2ccc3c(c2)oc(=O)n3C)CCN1.C[C@H]1CN(c2ccc3c(c2)oc(=O)n3C)CCN1.Cn1c(=O)oc2cc(N3C(=O)CNC4(COC4)C3=O)ccc21.Cn1c(=O)oc2cc(N3CC(C)(C)NCC3=O)ccc21.Cn1c(=O)oc2cc(N3CC4CCC(C3)N4)ccc21.Cn1c(=O)oc2cc(N3CCNC(C)(C)C3)ccc21.Cn1c(=O)oc2cc(N3CCNC(C)(C)C3=O)ccc21.Cn1c(=O)oc2cc(N3CCNC4(CC4)C3)ccc21.Cn1c(=O)oc2cc(N3CCNCC3)ccc21.Cn1c(=O)oc2cc(N3CCNCC3=O)ccc21
InChIInChI=1S/C17H26N4O2.C15H22N4O2.C14H13N3O5.2C14H17N3O3.2C14H17N3O2.2C14H19N3O2.2C13H17N3O2.C12H13N3O3.C12H15N3O2/c1-17(2)12-20(8-7-18-17)13-5-6-14-15(11-13)23-16(22)21(14)10-9-19(3)4;1-17(2)9-10-19-13-4-3-12(11-14(13)21-15(19)20)18-7-5-16-6-8-18;1-16-9-3-2-8(4-10(9)22-13(16)20)17-11(18)5-15-14(12(17)19)6-21-7-14;1-14(2)8-17(12(18)7-15-14)9-4-5-10-11(6-9)20-13(19)16(10)3;1-14(2)12(18)17(7-6-15-14)9-4-5-10-11(8-9)20-13(19)16(10)3;1-16-12-5-4-11(6-13(12)19-14(16)18)17-7-9-2-3-10(8-17)15-9;1-16-11-3-2-10(8-12(11)19-13(16)18)17-7-6-15-14(9-17)4-5-14;1-9-7-17(8-10(2)15-9)11-4-5-12-13(6-11)19-14(18)16(12)3;1-14(2)9-17(7-6-15-14)10-4-5-11-12(8-10)19-13(18)16(11)3;2*1-9-8-16(6-5-14-9)10-3-4-11-12(7-10)18-13(17)15(11)2;1-14-9-3-2-8(6-10(9)18-12(14)17)15-5-4-13-7-11(15)16;1-14-10-3-2-9(8-11(10)17-12(14)16)15-6-4-13-5-7-15/h5-6,11,18H,7-10,12H2,1-4H3;3-4,11,16H,5-10H2,1-2H3;2-4,15H,5-7H2,1H3;4-6,15H,7-8H2,1-3H3;4-5,8,15H,6-7H2,1-3H3;4-6,9-10,15H,2-3,7-8H2,1H3;2-3,8,15H,4-7,9H2,1H3;4-6,9-10,15H,7-8H2,1-3H3;4-5,8,15H,6-7,9H2,1-3H3;2*3-4,7,9,14H,5-6,8H2,1-2H3;2-3,6,13H,4-5,7H2,1H3;2-3,8,13H,4-7H2,1H3/t;;;;;;;;;2*9-;;/m.........10../s1
InChIKeyCDBSRTNGHBUALD-XAFOIWGVSA-N
MW3479.07 g/mol
LogP10.22
Rot. Bonds19

About 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5,5-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5,8-diazaspiro[3.5]nonane-7,9-dione;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one

6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5,5-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5,8-diazaspiro[3.5]nonane-7,9-dione;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one (PubChem CID 167548710) has the molecular formula C180H229N41O32 and a molecular weight of 3479.07 g/mol. Its IUPAC name is 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5,5-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5,8-diazaspiro[3.5]nonane-7,9-dione;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5,5-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5,8-diazaspiro[3.5]nonane-7,9-dione;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one
PubChem CID167548710
Molecular FormulaC180H229N41O32
Molecular Weight3479.07 g/mol
Exact Mass3476.76
IUPAC Name6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5,5-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5,8-diazaspiro[3.5]nonane-7,9-dione;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one
SMILESCC1CN(c2ccc3c(c2)oc(=O)n3C)CC(C)N1.CN(C)CCn1c(=O)oc2cc(N3CCNC(C)(C)C3)ccc21.CN(C)CCn1c(=O)oc2cc(N3CCNCC3)ccc21.C[C@@H]1CN(c2ccc3c(c2)oc(=O)n3C)CCN1.C[C@H]1CN(c2ccc3c(c2)oc(=O)n3C)CCN1.Cn1c(=O)oc2cc(N3C(=O)CNC4(COC4)C3=O)ccc21.Cn1c(=O)oc2cc(N3CC(C)(C)NCC3=O)ccc21.Cn1c(=O)oc2cc(N3CC4CCC(C3)N4)ccc21.Cn1c(=O)oc2cc(N3CCNC(C)(C)C3)ccc21.Cn1c(=O)oc2cc(N3CCNC(C)(C)C3=O)ccc21.Cn1c(=O)oc2cc(N3CCNC4(CC4)C3)ccc21.Cn1c(=O)oc2cc(N3CCNCC3)ccc21.Cn1c(=O)oc2cc(N3CCNCC3=O)ccc21
InChIInChI=1S/C17H26N4O2.C15H22N4O2.C14H13N3O5.2C14H17N3O3.2C14H17N3O2.2C14H19N3O2.2C13H17N3O2.C12H13N3O3.C12H15N3O2/c1-17(2)12-20(8-7-18-17)13-5-6-14-15(11-13)23-16(22)21(14)10-9-19(3)4;1-17(2)9-10-19-13-4-3-12(11-14(13)21-15(19)20)18-7-5-16-6-8-18;1-16-9-3-2-8(4-10(9)22-13(16)20)17-11(18)5-15-14(12(17)19)6-21-7-14;1-14(2)8-17(12(18)7-15-14)9-4-5-10-11(6-9)20-13(19)16(10)3;1-14(2)12(18)17(7-6-15-14)9-4-5-10-11(8-9)20-13(19)16(10)3;1-16-12-5-4-11(6-13(12)19-14(16)18)17-7-9-2-3-10(8-17)15-9;1-16-11-3-2-10(8-12(11)19-13(16)18)17-7-6-15-14(9-17)4-5-14;1-9-7-17(8-10(2)15-9)11-4-5-12-13(6-11)19-14(18)16(12)3;1-14(2)9-17(7-6-15-14)10-4-5-11-12(8-10)19-13(18)16(11)3;2*1-9-8-16(6-5-14-9)10-3-4-11-12(7-10)18-13(17)15(11)2;1-14-9-3-2-8(6-10(9)18-12(14)17)15-5-4-13-7-11(15)16;1-14-10-3-2-9(8-11(10)17-12(14)16)15-6-4-13-5-7-15/h5-6,11,18H,7-10,12H2,1-4H3;3-4,11,16H,5-10H2,1-2H3;2-4,15H,5-7H2,1H3;4-6,15H,7-8H2,1-3H3;4-5,8,15H,6-7H2,1-3H3;4-6,9-10,15H,2-3,7-8H2,1H3;2-3,8,15H,4-7,9H2,1H3;4-6,9-10,15H,7-8H2,1-3H3;4-5,8,15H,6-7,9H2,1-3H3;2*3-4,7,9,14H,5-6,8H2,1-2H3;2-3,6,13H,4-5,7H2,1H3;2-3,8,13H,4-7H2,1H3/t;;;;;;;;;2*9-;;/m.........10../s1
InChIKeyCDBSRTNGHBUALD-XAFOIWGVSA-N
XLogP10.22
TPSA756.39 Ų
H-Bond Donors13
H-Bond Acceptors69
Rotatable Bonds19
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003479.07
LogP ≤ 510.22
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1069

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5,5-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5,8-diazaspiro[3.5]nonane-7,9-dione;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-(3,8-Diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one
CID 167547614
CID 167549458
CID 167549458
6-(2,7-diazaspiro[3.5]nonan-2-yl)-3H-1,3-benzoxazol-2-one;6-(2,7-diazaspiro[3.5]nonan-7-yl)-3H-1,3-benzoxazol-2-one;6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-methyl-1,3-benzoxazol-2-one;6-(2,7-diazaspiro[3.5]nonan-7-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-methyl-1,3-benzoxazol-2-one
CID 167576399
3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-piperazin-1-yl-3H-1,3-benzoxazol-2-one
CID 167660322
tert-butyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 167687039
tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-3-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-5-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(2-oxo-3H-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxylate
CID 167704920

Frequently Asked Questions

What is the IUPAC name of 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5,5-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5,8-diazaspiro[3.5]nonane-7,9-dione;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5,5-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5,8-diazaspiro[3.5]nonane-7,9-dione;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one (CID 167548710) is 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5,5-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5,8-diazaspiro[3.5]nonane-7,9-dione;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5,5-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5,8-diazaspiro[3.5]nonane-7,9-dione;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5,5-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5,8-diazaspiro[3.5]nonane-7,9-dione;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one is CC1CN(c2ccc3c(c2)oc(=O)n3C)CC(C)N1.CN(C)CCn1c(=O)oc2cc(N3CCNC(C)(C)C3)ccc21.CN(C)CCn1c(=O)oc2cc(N3CCNCC3)ccc21.C[C@@H]1CN(c2ccc3c(c2)oc(=O)n3C)CCN1.C[C@H]1CN(c2ccc3c(c2)oc(=O)n3C)CCN1.Cn1c(=O)oc2cc(N3C(=O)CNC4(COC4)C3=O)ccc21.Cn1c(=O)oc2cc(N3CC(C)(C)NCC3=O)ccc21.Cn1c(=O)oc2cc(N3CC4CCC(C3)N4)ccc21.Cn1c(=O)oc2cc(N3CCNC(C)(C)C3)ccc21.Cn1c(=O)oc2cc(N3CCNC(C)(C)C3=O)ccc21.Cn1c(=O)oc2cc(N3CCNC4(CC4)C3)ccc21.Cn1c(=O)oc2cc(N3CCNCC3)ccc21.Cn1c(=O)oc2cc(N3CCNCC3=O)ccc21.
What is the InChIKey of 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5,5-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5,8-diazaspiro[3.5]nonane-7,9-dione;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one?
The InChIKey is CDBSRTNGHBUALD-XAFOIWGVSA-N. The full InChI is InChI=1S/C17H26N4O2.C15H22N4O2.C14H13N3O5.2C14H17N3O3.2C14H17N3O2.2C14H19N3O2.2C13H17N3O2.C12H13N3O3.C12H15N3O2/c1-17(2)12-20(8-7-18-17)13-5-6-14-15(11-13)23-16(22)21(14)10-9-19(3)4;1-17(2)9-10-19-13-4-3-12(11-14(13)21-15(19)20)18-7-5-16-6-8-18;1-16-9-3-2-8(4-10(9)22-13(16)20)17-11(18)5-15-14(12(17)19)6-21-7-14;1-14(2)8-17(12(18)7-15-14)9-4-5-10-11(6-9)20-13(19)16(10)3;1-14(2)12(18)17(7-6-15-14)9-4-5-10-11(8-9)20-13(19)16(10)3;1-16-12-5-4-11(6-13(12)19-14(16)18)17-7-9-2-3-10(8-17)15-9;1-16-11-3-2-10(8-12(11)19-13(16)18)17-7-6-15-14(9-17)4-5-14;1-9-7-17(8-10(2)15-9)11-4-5-12-13(6-11)19-14(18)16(12)3;1-14(2)9-17(7-6-15-14)10-4-5-11-12(8-10)19-13(18)16(11)3;2*1-9-8-16(6-5-14-9)10-3-4-11-12(7-10)18-13(17)15(11)2;1-14-9-3-2-8(6-10(9)18-12(14)17)15-5-4-13-7-11(15)16;1-14-10-3-2-9(8-11(10)17-12(14)16)15-6-4-13-5-7-15/h5-6,11,18H,7-10,12H2,1-4H3;3-4,11,16H,5-10H2,1-2H3;2-4,15H,5-7H2,1H3;4-6,15H,7-8H2,1-3H3;4-5,8,15H,6-7H2,1-3H3;4-6,9-10,15H,2-3,7-8H2,1H3;2-3,8,15H,4-7,9H2,1H3;4-6,9-10,15H,7-8H2,1-3H3;4-5,8,15H,6-7,9H2,1-3H3;2*3-4,7,9,14H,5-6,8H2,1-2H3;2-3,6,13H,4-5,7H2,1H3;2-3,8,13H,4-7H2,1H3/t;;;;;;;;;2*9-;;/m.........10../s1.
What are the key properties of 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5,5-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5,8-diazaspiro[3.5]nonane-7,9-dione;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one?
6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5,5-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5,8-diazaspiro[3.5]nonane-7,9-dione;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one has a molecular weight of 3479.07 g/mol, XLogP of 10.22, 19 rotatable bonds, 13 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(5,5-dimethyl-2-oxopiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5,8-diazaspiro[3.5]nonane-7,9-dione;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 167548710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).