tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate

C226H312N38O51 — CID 167549458

IUPACtert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate
SMILESCC1CN(c2ccc3c(c2)oc(=O)n3C)CC(C)N1C(=O)OC(C)(C)C.CN(C)CCn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)ccc21.CN(C)CCn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc21.C[C@@H]1CN(c2ccc3c(c2)oc(=O)n3C)CCN1C(=O)OC(C)(C)C.C[C@H]1CN(c2ccc3c(c2)oc(=O)n3C)CCN1C(=O)OC(C)(C)C.Cn1c(=O)oc2cc(N3CC(C)(C)N(C(=O)OC(C)(C)C)CC3=O)ccc21.Cn1c(=O)oc2cc(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)ccc21.Cn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)ccc21.Cn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3=O)ccc21.Cn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)C4(CC4)C3)ccc21.Cn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc21.Cn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)CC3=O)ccc21
InChIInChI=1S/C22H34N4O4.C20H30N4O4.2C19H25N3O5.2C19H25N3O4.2C19H27N3O4.2C18H25N3O4.C17H21N3O5.C17H23N3O4/c1-21(2,3)30-20(28)26-13-11-24(15-22(26,4)5)16-8-9-17-18(14-16)29-19(27)25(17)12-10-23(6)7;1-20(2,3)28-18(25)23-11-9-22(10-12-23)15-6-7-16-17(14-15)27-19(26)24(16)13-8-21(4)5;1-18(2,3)27-17(25)22-10-15(23)21(11-19(22,4)5)12-7-8-13-14(9-12)26-16(24)20(13)6;1-18(2,3)27-17(25)22-10-9-21(15(23)19(22,4)5)12-7-8-13-14(11-12)26-16(24)20(13)6;1-19(2,3)26-18(24)22-13-5-6-14(22)11-21(10-13)12-7-8-15-16(9-12)25-17(23)20(15)4;1-18(2,3)26-17(24)22-10-9-21(12-19(22)7-8-19)13-5-6-14-15(11-13)25-16(23)20(14)4;1-12-10-21(11-13(2)22(12)18(24)26-19(3,4)5)14-7-8-15-16(9-14)25-17(23)20(15)6;1-18(2,3)26-17(24)22-10-9-21(12-19(22,4)5)13-7-8-14-15(11-13)25-16(23)20(14)6;2*1-12-11-20(8-9-21(12)17(23)25-18(2,3)4)13-6-7-14-15(10-13)24-16(22)19(14)5;1-17(2,3)25-16(23)19-7-8-20(14(21)10-19)11-5-6-12-13(9-11)24-15(22)18(12)4;1-17(2,3)24-16(22)20-9-7-19(8-10-20)12-5-6-13-14(11-12)23-15(21)18(13)4/h8-9,14H,10-13,15H2,1-7H3;6-7,14H,8-13H2,1-5H3;7-9H,10-11H2,1-6H3;7-8,11H,9-10H2,1-6H3;7-9,13-14H,5-6,10-11H2,1-4H3;5-6,11H,7-10,12H2,1-4H3;7-9,12-13H,10-11H2,1-6H3;7-8,11H,9-10,12H2,1-6H3;2*6-7,10,12H,8-9,11H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;5-6,11H,7-10H2,1-4H3/t;;;;;;;;2*12-;;/m........10../s1
InChIKeyCFKFXXMOVYOWHW-JVVGLYLXSA-N
MW4377.20 g/mol
LogP30.62
Rot. Bonds18

About tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate

tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate (PubChem CID 167549458) has the molecular formula C226H312N38O51 and a molecular weight of 4377.20 g/mol. Its IUPAC name is tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate
PubChem CID167549458
Molecular FormulaC226H312N38O51
Molecular Weight4377.20 g/mol
Exact Mass4374.30
IUPAC Nametert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate
SMILESCC1CN(c2ccc3c(c2)oc(=O)n3C)CC(C)N1C(=O)OC(C)(C)C.CN(C)CCn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)ccc21.CN(C)CCn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc21.C[C@@H]1CN(c2ccc3c(c2)oc(=O)n3C)CCN1C(=O)OC(C)(C)C.C[C@H]1CN(c2ccc3c(c2)oc(=O)n3C)CCN1C(=O)OC(C)(C)C.Cn1c(=O)oc2cc(N3CC(C)(C)N(C(=O)OC(C)(C)C)CC3=O)ccc21.Cn1c(=O)oc2cc(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)ccc21.Cn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)ccc21.Cn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3=O)ccc21.Cn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)C4(CC4)C3)ccc21.Cn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc21.Cn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)CC3=O)ccc21
InChIInChI=1S/C22H34N4O4.C20H30N4O4.2C19H25N3O5.2C19H25N3O4.2C19H27N3O4.2C18H25N3O4.C17H21N3O5.C17H23N3O4/c1-21(2,3)30-20(28)26-13-11-24(15-22(26,4)5)16-8-9-17-18(14-16)29-19(27)25(17)12-10-23(6)7;1-20(2,3)28-18(25)23-11-9-22(10-12-23)15-6-7-16-17(14-15)27-19(26)24(16)13-8-21(4)5;1-18(2,3)27-17(25)22-10-15(23)21(11-19(22,4)5)12-7-8-13-14(9-12)26-16(24)20(13)6;1-18(2,3)27-17(25)22-10-9-21(15(23)19(22,4)5)12-7-8-13-14(11-12)26-16(24)20(13)6;1-19(2,3)26-18(24)22-13-5-6-14(22)11-21(10-13)12-7-8-15-16(9-12)25-17(23)20(15)4;1-18(2,3)26-17(24)22-10-9-21(12-19(22)7-8-19)13-5-6-14-15(11-13)25-16(23)20(14)4;1-12-10-21(11-13(2)22(12)18(24)26-19(3,4)5)14-7-8-15-16(9-14)25-17(23)20(15)6;1-18(2,3)26-17(24)22-10-9-21(12-19(22,4)5)13-7-8-14-15(11-13)25-16(23)20(14)6;2*1-12-11-20(8-9-21(12)17(23)25-18(2,3)4)13-6-7-14-15(10-13)24-16(22)19(14)5;1-17(2,3)25-16(23)19-7-8-20(14(21)10-19)11-5-6-12-13(9-11)24-15(22)18(12)4;1-17(2,3)24-16(22)20-9-7-19(8-10-20)12-5-6-13-14(11-12)23-15(21)18(13)4/h8-9,14H,10-13,15H2,1-7H3;6-7,14H,8-13H2,1-5H3;7-9H,10-11H2,1-6H3;7-8,11H,9-10H2,1-6H3;7-9,13-14H,5-6,10-11H2,1-4H3;5-6,11H,7-10,12H2,1-4H3;7-9,12-13H,10-11H2,1-6H3;7-8,11H,9-10,12H2,1-6H3;2*6-7,10,12H,8-9,11H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;5-6,11H,7-10H2,1-4H3/t;;;;;;;;2*12-;;/m........10../s1
InChIKeyCFKFXXMOVYOWHW-JVVGLYLXSA-N
XLogP30.62
TPSA872.73 Ų
H-Bond Donors
H-Bond Acceptors74
Rotatable Bonds18
Heavy Atoms315
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004377.20
LogP ≤ 530.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1074

Analyze tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate (CID 167549458) is tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate is CC1CN(c2ccc3c(c2)oc(=O)n3C)CC(C)N1C(=O)OC(C)(C)C.CN(C)CCn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)ccc21.CN(C)CCn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc21.C[C@@H]1CN(c2ccc3c(c2)oc(=O)n3C)CCN1C(=O)OC(C)(C)C.C[C@H]1CN(c2ccc3c(c2)oc(=O)n3C)CCN1C(=O)OC(C)(C)C.Cn1c(=O)oc2cc(N3CC(C)(C)N(C(=O)OC(C)(C)C)CC3=O)ccc21.Cn1c(=O)oc2cc(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)ccc21.Cn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)ccc21.Cn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)C(C)(C)C3=O)ccc21.Cn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)C4(CC4)C3)ccc21.Cn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc21.Cn1c(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)CC3=O)ccc21.
What is the InChIKey of tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate?
The InChIKey is CFKFXXMOVYOWHW-JVVGLYLXSA-N. The full InChI is InChI=1S/C22H34N4O4.C20H30N4O4.2C19H25N3O5.2C19H25N3O4.2C19H27N3O4.2C18H25N3O4.C17H21N3O5.C17H23N3O4/c1-21(2,3)30-20(28)26-13-11-24(15-22(26,4)5)16-8-9-17-18(14-16)29-19(27)25(17)12-10-23(6)7;1-20(2,3)28-18(25)23-11-9-22(10-12-23)15-6-7-16-17(14-15)27-19(26)24(16)13-8-21(4)5;1-18(2,3)27-17(25)22-10-15(23)21(11-19(22,4)5)12-7-8-13-14(9-12)26-16(24)20(13)6;1-18(2,3)27-17(25)22-10-9-21(15(23)19(22,4)5)12-7-8-13-14(11-12)26-16(24)20(13)6;1-19(2,3)26-18(24)22-13-5-6-14(22)11-21(10-13)12-7-8-15-16(9-12)25-17(23)20(15)4;1-18(2,3)26-17(24)22-10-9-21(12-19(22)7-8-19)13-5-6-14-15(11-13)25-16(23)20(14)4;1-12-10-21(11-13(2)22(12)18(24)26-19(3,4)5)14-7-8-15-16(9-14)25-17(23)20(15)6;1-18(2,3)26-17(24)22-10-9-21(12-19(22,4)5)13-7-8-14-15(11-13)25-16(23)20(14)6;2*1-12-11-20(8-9-21(12)17(23)25-18(2,3)4)13-6-7-14-15(10-13)24-16(22)19(14)5;1-17(2,3)25-16(23)19-7-8-20(14(21)10-19)11-5-6-12-13(9-11)24-15(22)18(12)4;1-17(2,3)24-16(22)20-9-7-19(8-10-20)12-5-6-13-14(11-12)23-15(21)18(13)4/h8-9,14H,10-13,15H2,1-7H3;6-7,14H,8-13H2,1-5H3;7-9H,10-11H2,1-6H3;7-8,11H,9-10H2,1-6H3;7-9,13-14H,5-6,10-11H2,1-4H3;5-6,11H,7-10,12H2,1-4H3;7-9,12-13H,10-11H2,1-6H3;7-8,11H,9-10,12H2,1-6H3;2*6-7,10,12H,8-9,11H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;5-6,11H,7-10H2,1-4H3/t;;;;;;;;2*12-;;/m........10../s1.
What are the key properties of tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate?
tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate has a molecular weight of 4377.20 g/mol, XLogP of 30.62, 18 rotatable bonds, 0 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]-2,2-dimethylpiperazine-1-carboxylate;tert-butyl 4-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-6-yl]piperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 2,6-dimethyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2R)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;tert-butyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopiperazine-1-carboxylate;tert-butyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate is sourced from PubChem (CID 167549458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).