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

C174H228N30O43 — CID 167704920

IUPACtert-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
SMILESCC(C)(C)OC(=O)N1C2CCC1CN(c1ccc3[nH]c(=O)oc3c1)C2.CC(C)(C)OC(=O)N1CC(=O)N(c2ccc3[nH]c(=O)oc3c2)CC1(C)C.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]c(=O)oc3c2)C(=O)C1.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]c(=O)oc3c2)C(=O)C1(C)C.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]c(=O)oc3c2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]c(=O)oc3c2)CC1(C)C.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]c(=O)oc3c2)CC12CC2.CC1CN(c2ccc3[nH]c(=O)oc3c2)CC(C)N1C(=O)OC(C)(C)C.C[C@@H]1CN(c2ccc3[nH]c(=O)oc3c2)CCN1C(=O)OC(C)(C)C.C[C@H]1CN(c2ccc3[nH]c(=O)oc3c2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/2C18H23N3O5.2C18H23N3O4.2C18H25N3O4.2C17H23N3O4.C16H19N3O5.C16H21N3O4/c1-17(2,3)26-16(24)21-9-14(22)20(10-18(21,4)5)11-6-7-12-13(8-11)25-15(23)19-12;1-17(2,3)26-16(24)21-9-8-20(14(22)18(21,4)5)11-6-7-12-13(10-11)25-15(23)19-12;1-18(2,3)25-17(23)21-12-4-5-13(21)10-20(9-12)11-6-7-14-15(8-11)24-16(22)19-14;1-17(2,3)25-16(23)21-9-8-20(11-18(21)6-7-18)12-4-5-13-14(10-12)24-15(22)19-13;1-11-9-20(10-12(2)21(11)17(23)25-18(3,4)5)13-6-7-14-15(8-13)24-16(22)19-14;1-17(2,3)25-16(23)21-9-8-20(11-18(21,4)5)12-6-7-13-14(10-12)24-15(22)19-13;2*1-11-10-19(7-8-20(11)16(22)24-17(2,3)4)12-5-6-13-14(9-12)23-15(21)18-13;1-16(2,3)24-15(22)18-6-7-19(13(20)9-18)10-4-5-11-12(8-10)23-14(21)17-11;1-16(2,3)23-15(21)19-8-6-18(7-9-19)11-4-5-12-13(10-11)22-14(20)17-12/h6-8H,9-10H2,1-5H3,(H,19,23);6-7,10H,8-9H2,1-5H3,(H,19,23);6-8,12-13H,4-5,9-10H2,1-3H3,(H,19,22);4-5,10H,6-9,11H2,1-3H3,(H,19,22);6-8,11-12H,9-10H2,1-5H3,(H,19,22);6-7,10H,8-9,11H2,1-5H3,(H,19,22);2*5-6,9,11H,7-8,10H2,1-4H3,(H,18,21);4-5,8H,6-7,9H2,1-3H3,(H,17,21);4-5,10H,6-9H2,1-3H3,(H,17,20)/t;;;;;;2*11-;;/m......10../s1
InChIKeyYYOHSXCEPFWFSX-QYBAONQNSA-N
MW3427.90 g/mol
LogP25.32
Rot. Bonds10

About 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

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 (PubChem CID 167704920) has the molecular formula C174H228N30O43 and a molecular weight of 3427.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID167704920
Molecular FormulaC174H228N30O43
Molecular Weight3427.90 g/mol
Exact Mass3425.66
IUPAC Nametert-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
SMILESCC(C)(C)OC(=O)N1C2CCC1CN(c1ccc3[nH]c(=O)oc3c1)C2.CC(C)(C)OC(=O)N1CC(=O)N(c2ccc3[nH]c(=O)oc3c2)CC1(C)C.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]c(=O)oc3c2)C(=O)C1.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]c(=O)oc3c2)C(=O)C1(C)C.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]c(=O)oc3c2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]c(=O)oc3c2)CC1(C)C.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]c(=O)oc3c2)CC12CC2.CC1CN(c2ccc3[nH]c(=O)oc3c2)CC(C)N1C(=O)OC(C)(C)C.C[C@@H]1CN(c2ccc3[nH]c(=O)oc3c2)CCN1C(=O)OC(C)(C)C.C[C@H]1CN(c2ccc3[nH]c(=O)oc3c2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/2C18H23N3O5.2C18H23N3O4.2C18H25N3O4.2C17H23N3O4.C16H19N3O5.C16H21N3O4/c1-17(2,3)26-16(24)21-9-14(22)20(10-18(21,4)5)11-6-7-12-13(8-11)25-15(23)19-12;1-17(2,3)26-16(24)21-9-8-20(14(22)18(21,4)5)11-6-7-12-13(10-11)25-15(23)19-12;1-18(2,3)25-17(23)21-12-4-5-13(21)10-20(9-12)11-6-7-14-15(8-11)24-16(22)19-14;1-17(2,3)25-16(23)21-9-8-20(11-18(21)6-7-18)12-4-5-13-14(10-12)24-15(22)19-13;1-11-9-20(10-12(2)21(11)17(23)25-18(3,4)5)13-6-7-14-15(8-13)24-16(22)19-14;1-17(2,3)25-16(23)21-9-8-20(11-18(21,4)5)12-6-7-13-14(10-12)24-15(22)19-13;2*1-11-10-19(7-8-20(11)16(22)24-17(2,3)4)12-5-6-13-14(9-12)23-15(21)18-13;1-16(2,3)24-15(22)18-6-7-19(13(20)9-18)10-4-5-11-12(8-10)23-14(21)17-11;1-16(2,3)23-15(21)19-8-6-18(7-9-19)11-4-5-12-13(10-11)22-14(20)17-12/h6-8H,9-10H2,1-5H3,(H,19,23);6-7,10H,8-9H2,1-5H3,(H,19,23);6-8,12-13H,4-5,9-10H2,1-3H3,(H,19,22);4-5,10H,6-9,11H2,1-3H3,(H,19,22);6-8,11-12H,9-10H2,1-5H3,(H,19,22);6-7,10H,8-9,11H2,1-5H3,(H,19,22);2*5-6,9,11H,7-8,10H2,1-4H3,(H,18,21);4-5,8H,6-7,9H2,1-3H3,(H,17,21);4-5,10H,6-9H2,1-3H3,(H,17,20)/t;;;;;;2*11-;;/m......10../s1
InChIKeyYYOHSXCEPFWFSX-QYBAONQNSA-N
XLogP25.32
TPSA839.01 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds10
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003427.90
LogP ≤ 525.32
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 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 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
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
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
N-benzyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide;N-benzyl-4-(2-methylidene-1,3-dihydroindol-5-yl)piperazine-1-carboxamide;N-cyclohexyl-4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide;N-cyclohexyl-4-(2-methylidene-1,3-dihydroindol-5-yl)piperazine-1-carboxamide;N-cyclopentyl-4-(2-methylidene-1,3-dihydroindol-5-yl)piperazine-1-carboxamide;N-ethyl-4-(2-methylidene-1,3-dihydroindol-5-yl)piperazine-1-carboxamide;1-[4-(2-methylidene-3H-1,3-benzoxazol-6-yl)piperazin-1-yl]propan-1-one;bis(1-[4-(2-methylidene-1,3-dihydroindol-5-yl)piperazin-1-yl]propan-1-one)
CID 167652515
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
6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3H-1,3-benzoxazol-2-one;6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3H-1,3-benzoxazol-2-one;6-[(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl]-3H-1,3-benzoxazol-2-one;tert-butyl (4aS,7aS)-1-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl (4aR,7aR)-6-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxylate;tert-butyl (3aS,6aR)-2-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 167691129

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)N1C2CCC1CN(c1ccc3[nH]c(=O)oc3c1)C2.CC(C)(C)OC(=O)N1CC(=O)N(c2ccc3[nH]c(=O)oc3c2)CC1(C)C.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]c(=O)oc3c2)C(=O)C1.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]c(=O)oc3c2)C(=O)C1(C)C.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]c(=O)oc3c2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]c(=O)oc3c2)CC1(C)C.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]c(=O)oc3c2)CC12CC2.CC1CN(c2ccc3[nH]c(=O)oc3c2)CC(C)N1C(=O)OC(C)(C)C.C[C@@H]1CN(c2ccc3[nH]c(=O)oc3c2)CCN1C(=O)OC(C)(C)C.C[C@H]1CN(c2ccc3[nH]c(=O)oc3c2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of 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?
The InChIKey is YYOHSXCEPFWFSX-QYBAONQNSA-N. The full InChI is InChI=1S/2C18H23N3O5.2C18H23N3O4.2C18H25N3O4.2C17H23N3O4.C16H19N3O5.C16H21N3O4/c1-17(2,3)26-16(24)21-9-14(22)20(10-18(21,4)5)11-6-7-12-13(8-11)25-15(23)19-12;1-17(2,3)26-16(24)21-9-8-20(14(22)18(21,4)5)11-6-7-12-13(10-11)25-15(23)19-12;1-18(2,3)25-17(23)21-12-4-5-13(21)10-20(9-12)11-6-7-14-15(8-11)24-16(22)19-14;1-17(2,3)25-16(23)21-9-8-20(11-18(21)6-7-18)12-4-5-13-14(10-12)24-15(22)19-13;1-11-9-20(10-12(2)21(11)17(23)25-18(3,4)5)13-6-7-14-15(8-13)24-16(22)19-14;1-17(2,3)25-16(23)21-9-8-20(11-18(21,4)5)12-6-7-13-14(10-12)24-15(22)19-13;2*1-11-10-19(7-8-20(11)16(22)24-17(2,3)4)12-5-6-13-14(9-12)23-15(21)18-13;1-16(2,3)24-15(22)18-6-7-19(13(20)9-18)10-4-5-11-12(8-10)23-14(21)17-11;1-16(2,3)23-15(21)19-8-6-18(7-9-19)11-4-5-12-13(10-11)22-14(20)17-12/h6-8H,9-10H2,1-5H3,(H,19,23);6-7,10H,8-9H2,1-5H3,(H,19,23);6-8,12-13H,4-5,9-10H2,1-3H3,(H,19,22);4-5,10H,6-9,11H2,1-3H3,(H,19,22);6-8,11-12H,9-10H2,1-5H3,(H,19,22);6-7,10H,8-9,11H2,1-5H3,(H,19,22);2*5-6,9,11H,7-8,10H2,1-4H3,(H,18,21);4-5,8H,6-7,9H2,1-3H3,(H,17,21);4-5,10H,6-9H2,1-3H3,(H,17,20)/t;;;;;;2*11-;;/m......10../s1.
What are the key properties of 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?
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 has a molecular weight of 3427.90 g/mol, XLogP of 25.32, 10 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167704920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).