benzyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;benzyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;tert-butyl 3-hydroxy-3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(cyclohexen-1-yl)-3H-1,3-benzoxazol-2-one;7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-1,3-benzoxazol-2-one

C199H209N21O45 — CID 167610364

IUPACbenzyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;benzyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;tert-butyl 3-hydroxy-3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(cyclohexen-1-yl)-3H-1,3-benzoxazol-2-one;7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-1,3-benzoxazol-2-one
SMILESCC(C)(C)OC(=O)N1CC=C(c2cccc3[nH]c(=O)oc23)CC1.CC(C)(C)OC(=O)N1CCC(O)(c2cccc3[nH]c(=O)oc23)CC1.CC(C)(C)OC(=O)N1CCC=C(c2ccc3[nH]c(=O)oc3c2)C1.CC(C)(C)OC(=O)N1CCCC(O)(c2ccc3[nH]c(=O)oc3c2)C1.Cn1c(=O)oc2cc(C3=CCN(C(=O)OCc4ccccc4)C4(COC4)C3)ccc21.Cn1c(=O)oc2cc(C3=CCN(C(=O)OCc4ccccc4)CC3)ccc21.O=C(OCc1ccccc1)N1CC=C(c2ccc3[nH]c(=O)oc3c2)CC1.O=C(OCc1ccccc1)N1CC=C(c2ccc3[nH]c(=O)oc3c2)CC12COC2.O=C(OCc1ccccc1)N1CCC(O)(c2ccc3[nH]c(=O)oc3c2)CC1.O=c1[nH]c2ccc(C3=CCCCC3)cc2o1.O=c1[nH]c2cccc(C3=CCNCC3)c2o1
InChIInChI=1S/C23H22N2O5.C22H20N2O5.C21H20N2O4.C20H20N2O5.C20H18N2O4.2C17H22N2O5.2C17H20N2O4.C13H13NO2.C12H12N2O2/c1-24-19-8-7-17(11-20(19)30-21(24)26)18-9-10-25(23(12-18)14-28-15-23)22(27)29-13-16-5-3-2-4-6-16;25-20-23-18-7-6-16(10-19(18)29-20)17-8-9-24(22(11-17)13-27-14-22)21(26)28-12-15-4-2-1-3-5-15;1-22-18-8-7-17(13-19(18)27-20(22)24)16-9-11-23(12-10-16)21(25)26-14-15-5-3-2-4-6-15;23-18-21-16-7-6-15(12-17(16)27-18)20(25)8-10-22(11-9-20)19(24)26-13-14-4-2-1-3-5-14;23-19-21-17-7-6-16(12-18(17)26-19)15-8-10-22(11-9-15)20(24)25-13-14-4-2-1-3-5-14;1-16(2,3)24-15(21)19-8-4-7-17(22,10-19)11-5-6-12-13(9-11)23-14(20)18-12;1-16(2,3)24-15(21)19-9-7-17(22,8-10-19)11-5-4-6-12-13(11)23-14(20)18-12;1-17(2,3)23-16(21)19-8-4-5-12(10-19)11-6-7-13-14(9-11)22-15(20)18-13;1-17(2,3)23-16(21)19-9-7-11(8-10-19)12-5-4-6-13-14(12)22-15(20)18-13;15-13-14-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9;15-12-14-10-3-1-2-9(11(10)16-12)8-4-6-13-7-5-8/h2-9,11H,10,12-15H2,1H3;1-8,10H,9,11-14H2,(H,23,25);2-9,13H,10-12,14H2,1H3;1-7,12,25H,8-11,13H2,(H,21,23);1-8,12H,9-11,13H2,(H,21,23);5-6,9,22H,4,7-8,10H2,1-3H3,(H,18,20);4-6,22H,7-10H2,1-3H3,(H,18,20);5-7,9H,4,8,10H2,1-3H3,(H,18,20);4-7H,8-10H2,1-3H3,(H,18,20);4,6-8H,1-3,5H2,(H,14,15);1-4,13H,5-7H2,(H,14,15)
InChIKeyKYNOPBMXCFWWBW-UHFFFAOYSA-N
MW3614.96 g/mol
LogP32.03
Rot. Bonds21

About benzyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;benzyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;tert-butyl 3-hydroxy-3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(cyclohexen-1-yl)-3H-1,3-benzoxazol-2-one;7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-1,3-benzoxazol-2-one

benzyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;benzyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;tert-butyl 3-hydroxy-3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(cyclohexen-1-yl)-3H-1,3-benzoxazol-2-one;7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-1,3-benzoxazol-2-one (PubChem CID 167610364) has the molecular formula C199H209N21O45 and a molecular weight of 3614.96 g/mol. Its IUPAC name is benzyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;benzyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;tert-butyl 3-hydroxy-3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(cyclohexen-1-yl)-3H-1,3-benzoxazol-2-one;7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Namebenzyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;benzyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;tert-butyl 3-hydroxy-3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(cyclohexen-1-yl)-3H-1,3-benzoxazol-2-one;7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-1,3-benzoxazol-2-one
PubChem CID167610364
Molecular FormulaC199H209N21O45
Molecular Weight3614.96 g/mol
Exact Mass3612.47
IUPAC Namebenzyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;benzyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;tert-butyl 3-hydroxy-3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(cyclohexen-1-yl)-3H-1,3-benzoxazol-2-one;7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-1,3-benzoxazol-2-one
SMILESCC(C)(C)OC(=O)N1CC=C(c2cccc3[nH]c(=O)oc23)CC1.CC(C)(C)OC(=O)N1CCC(O)(c2cccc3[nH]c(=O)oc23)CC1.CC(C)(C)OC(=O)N1CCC=C(c2ccc3[nH]c(=O)oc3c2)C1.CC(C)(C)OC(=O)N1CCCC(O)(c2ccc3[nH]c(=O)oc3c2)C1.Cn1c(=O)oc2cc(C3=CCN(C(=O)OCc4ccccc4)C4(COC4)C3)ccc21.Cn1c(=O)oc2cc(C3=CCN(C(=O)OCc4ccccc4)CC3)ccc21.O=C(OCc1ccccc1)N1CC=C(c2ccc3[nH]c(=O)oc3c2)CC1.O=C(OCc1ccccc1)N1CC=C(c2ccc3[nH]c(=O)oc3c2)CC12COC2.O=C(OCc1ccccc1)N1CCC(O)(c2ccc3[nH]c(=O)oc3c2)CC1.O=c1[nH]c2ccc(C3=CCCCC3)cc2o1.O=c1[nH]c2cccc(C3=CCNCC3)c2o1
InChIInChI=1S/C23H22N2O5.C22H20N2O5.C21H20N2O4.C20H20N2O5.C20H18N2O4.2C17H22N2O5.2C17H20N2O4.C13H13NO2.C12H12N2O2/c1-24-19-8-7-17(11-20(19)30-21(24)26)18-9-10-25(23(12-18)14-28-15-23)22(27)29-13-16-5-3-2-4-6-16;25-20-23-18-7-6-16(10-19(18)29-20)17-8-9-24(22(11-17)13-27-14-22)21(26)28-12-15-4-2-1-3-5-15;1-22-18-8-7-17(13-19(18)27-20(22)24)16-9-11-23(12-10-16)21(25)26-14-15-5-3-2-4-6-15;23-18-21-16-7-6-15(12-17(16)27-18)20(25)8-10-22(11-9-20)19(24)26-13-14-4-2-1-3-5-14;23-19-21-17-7-6-16(12-18(17)26-19)15-8-10-22(11-9-15)20(24)25-13-14-4-2-1-3-5-14;1-16(2,3)24-15(21)19-8-4-7-17(22,10-19)11-5-6-12-13(9-11)23-14(20)18-12;1-16(2,3)24-15(21)19-9-7-17(22,8-10-19)11-5-4-6-12-13(11)23-14(20)18-12;1-17(2,3)23-16(21)19-8-4-5-12(10-19)11-6-7-13-14(9-11)22-15(20)18-13;1-17(2,3)23-16(21)19-9-7-11(8-10-19)12-5-4-6-13-14(12)22-15(20)18-13;15-13-14-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9;15-12-14-10-3-1-2-9(11(10)16-12)8-4-6-13-7-5-8/h2-9,11H,10,12-15H2,1H3;1-8,10H,9,11-14H2,(H,23,25);2-9,13H,10-12,14H2,1H3;1-7,12,25H,8-11,13H2,(H,21,23);1-8,12H,9-11,13H2,(H,21,23);5-6,9,22H,4,7-8,10H2,1-3H3,(H,18,20);4-6,22H,7-10H2,1-3H3,(H,18,20);5-7,9H,4,8,10H2,1-3H3,(H,18,20);4-7H,8-10H2,1-3H3,(H,18,20);4,6-8H,1-3,5H2,(H,14,15);1-4,13H,5-7H2,(H,14,15)
InChIKeyKYNOPBMXCFWWBW-UHFFFAOYSA-N
XLogP32.03
TPSA841.32 Ų
H-Bond Donors13
H-Bond Acceptors48
Rotatable Bonds21
Heavy Atoms265
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003614.96
LogP ≤ 532.03
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze benzyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;benzyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;tert-butyl 3-hydroxy-3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(cyclohexen-1-yl)-3H-1,3-benzoxazol-2-one;7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-1,3-benzoxazol-2-one with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;benzyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;tert-butyl 3-hydroxy-3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(cyclohexen-1-yl)-3H-1,3-benzoxazol-2-one;7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of benzyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;benzyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;tert-butyl 3-hydroxy-3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(cyclohexen-1-yl)-3H-1,3-benzoxazol-2-one;7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-1,3-benzoxazol-2-one (CID 167610364) is benzyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;benzyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;tert-butyl 3-hydroxy-3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(cyclohexen-1-yl)-3H-1,3-benzoxazol-2-one;7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for benzyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;benzyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;tert-butyl 3-hydroxy-3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(cyclohexen-1-yl)-3H-1,3-benzoxazol-2-one;7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for benzyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;benzyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;tert-butyl 3-hydroxy-3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(cyclohexen-1-yl)-3H-1,3-benzoxazol-2-one;7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-1,3-benzoxazol-2-one is CC(C)(C)OC(=O)N1CC=C(c2cccc3[nH]c(=O)oc23)CC1.CC(C)(C)OC(=O)N1CCC(O)(c2cccc3[nH]c(=O)oc23)CC1.CC(C)(C)OC(=O)N1CCC=C(c2ccc3[nH]c(=O)oc3c2)C1.CC(C)(C)OC(=O)N1CCCC(O)(c2ccc3[nH]c(=O)oc3c2)C1.Cn1c(=O)oc2cc(C3=CCN(C(=O)OCc4ccccc4)C4(COC4)C3)ccc21.Cn1c(=O)oc2cc(C3=CCN(C(=O)OCc4ccccc4)CC3)ccc21.O=C(OCc1ccccc1)N1CC=C(c2ccc3[nH]c(=O)oc3c2)CC1.O=C(OCc1ccccc1)N1CC=C(c2ccc3[nH]c(=O)oc3c2)CC12COC2.O=C(OCc1ccccc1)N1CCC(O)(c2ccc3[nH]c(=O)oc3c2)CC1.O=c1[nH]c2ccc(C3=CCCCC3)cc2o1.O=c1[nH]c2cccc(C3=CCNCC3)c2o1.
What is the InChIKey of benzyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;benzyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;tert-butyl 3-hydroxy-3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(cyclohexen-1-yl)-3H-1,3-benzoxazol-2-one;7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-1,3-benzoxazol-2-one?
The InChIKey is KYNOPBMXCFWWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5.C22H20N2O5.C21H20N2O4.C20H20N2O5.C20H18N2O4.2C17H22N2O5.2C17H20N2O4.C13H13NO2.C12H12N2O2/c1-24-19-8-7-17(11-20(19)30-21(24)26)18-9-10-25(23(12-18)14-28-15-23)22(27)29-13-16-5-3-2-4-6-16;25-20-23-18-7-6-16(10-19(18)29-20)17-8-9-24(22(11-17)13-27-14-22)21(26)28-12-15-4-2-1-3-5-15;1-22-18-8-7-17(13-19(18)27-20(22)24)16-9-11-23(12-10-16)21(25)26-14-15-5-3-2-4-6-15;23-18-21-16-7-6-15(12-17(16)27-18)20(25)8-10-22(11-9-20)19(24)26-13-14-4-2-1-3-5-14;23-19-21-17-7-6-16(12-18(17)26-19)15-8-10-22(11-9-15)20(24)25-13-14-4-2-1-3-5-14;1-16(2,3)24-15(21)19-8-4-7-17(22,10-19)11-5-6-12-13(9-11)23-14(20)18-12;1-16(2,3)24-15(21)19-9-7-17(22,8-10-19)11-5-4-6-12-13(11)23-14(20)18-12;1-17(2,3)23-16(21)19-8-4-5-12(10-19)11-6-7-13-14(9-11)22-15(20)18-13;1-17(2,3)23-16(21)19-9-7-11(8-10-19)12-5-4-6-13-14(12)22-15(20)18-13;15-13-14-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9;15-12-14-10-3-1-2-9(11(10)16-12)8-4-6-13-7-5-8/h2-9,11H,10,12-15H2,1H3;1-8,10H,9,11-14H2,(H,23,25);2-9,13H,10-12,14H2,1H3;1-7,12,25H,8-11,13H2,(H,21,23);1-8,12H,9-11,13H2,(H,21,23);5-6,9,22H,4,7-8,10H2,1-3H3,(H,18,20);4-6,22H,7-10H2,1-3H3,(H,18,20);5-7,9H,4,8,10H2,1-3H3,(H,18,20);4-7H,8-10H2,1-3H3,(H,18,20);4,6-8H,1-3,5H2,(H,14,15);1-4,13H,5-7H2,(H,14,15).
What are the key properties of benzyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;benzyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;tert-butyl 3-hydroxy-3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(cyclohexen-1-yl)-3H-1,3-benzoxazol-2-one;7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-1,3-benzoxazol-2-one?
benzyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;benzyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;tert-butyl 3-hydroxy-3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(cyclohexen-1-yl)-3H-1,3-benzoxazol-2-one;7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-1,3-benzoxazol-2-one has a molecular weight of 3614.96 g/mol, XLogP of 32.03, 21 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;benzyl 4-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 8-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-oxa-5-azaspiro[3.5]non-7-ene-5-carboxylate;tert-butyl 3-hydroxy-3-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperidine-1-carboxylate;tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-(cyclohexen-1-yl)-3H-1,3-benzoxazol-2-one;7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 167610364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).