N-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide

C222H231F3N14O12S — CID 159906910

IUPACN-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide
SMILES[2H]C(c1ccc(-c2ccc3c(c2)CC(C)=N3)cc1)N(C(=O)C1CCCCC1)c1cccc(/C=C/C)c1.[2H]C(c1ccc(-c2ccc3nc(C)sc3c2)cc1)N(C(=O)C1CCCCC1)c1cccc(/C=C/C)c1.[2H]C(c1ccc(-c2ccc3ncoc3c2)cc1)N(C(=O)C1CCCCC1)c1cccc(/C=C/C)c1.[2H]C(c1ccc(-c2ccc3oncc3c2)cc1)N(C(=O)C1CCCCC1)c1cccc(/C=C/C)c1.[2H][C@@H](c1ccc(-c2ccc(N(C)C)cc2)cc1)N(C(=O)[C@H]1C[C@H]2CC[C@@H]1C2)c1cc(F)cc(/C=C/C(C)=O)c1.[2H][C@H](c1ccc(-c2ccc(N(C)C)cc2)cc1)N(C(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)c1cc(F)cc(/C=C/C(C)=O)c1.[2H][C@H](c1ccc(-c2ccc(N(C)C)cc2)cc1)N(C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2)c1cc(F)cc(/C=C/C(C)=O)c1
InChIInChI=1S/3C33H35FN2O2.C32H34N2O.C31H32N2OS.2C30H30N2O2/c3*1-22(37)4-5-25-17-29(34)20-31(18-25)36(33(38)32-19-24-8-11-28(32)16-24)21-23-6-9-26(10-7-23)27-12-14-30(15-13-27)35(2)3;1-3-8-24-9-7-12-30(20-24)34(32(35)27-10-5-4-6-11-27)22-25-13-15-26(16-14-25)28-17-18-31-29(21-28)19-23(2)33-31;1-3-8-23-9-7-12-28(19-23)33(31(34)26-10-5-4-6-11-26)21-24-13-15-25(16-14-24)27-17-18-29-30(20-27)35-22(2)32-29;1-2-7-22-8-6-11-28(18-22)32(30(33)25-9-4-3-5-10-25)21-23-12-14-24(15-13-23)26-16-17-29-27(19-26)20-31-34-29;1-2-7-22-8-6-11-27(18-22)32(30(33)25-9-4-3-5-10-25)20-23-12-14-24(15-13-23)26-16-17-28-29(19-26)34-21-31-28/h3*4-7,9-10,12-15,17-18,20,24,28,32H,8,11,16,19,21H2,1-3H3;3,7-9,12-18,20-21,27H,4-6,10-11,19,22H2,1-2H3;3,7-9,12-20,26H,4-6,10-11,21H2,1-2H3;2,6-8,11-20,25H,3-5,9-10,21H2,1H3;2,6-8,11-19,21,25H,3-5,9-10,20H2,1H3/b3*5-4+;2*8-3+;2*7-2+/t24-,28+,32+;2*24-,28+,32-;;;;/m010..../s1/i3*21D;22D;2*21D;20D/t21-,24+,28-,32-;2*21-,24-,28+,32-;;;;/m110....
InChIKeyNWRPGAYEIGMJPE-RRAZNBCRSA-N
MW3383.48 g/mol
LogP53.24
Rot. Bonds48

About N-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide

N-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide (PubChem CID 159906910) has the molecular formula C222H231F3N14O12S and a molecular weight of 3383.48 g/mol. Its IUPAC name is N-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide
PubChem CID159906910
Molecular FormulaC222H231F3N14O12S
Molecular Weight3383.48 g/mol
Exact Mass3380.80
IUPAC NameN-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide
SMILES[2H]C(c1ccc(-c2ccc3c(c2)CC(C)=N3)cc1)N(C(=O)C1CCCCC1)c1cccc(/C=C/C)c1.[2H]C(c1ccc(-c2ccc3nc(C)sc3c2)cc1)N(C(=O)C1CCCCC1)c1cccc(/C=C/C)c1.[2H]C(c1ccc(-c2ccc3ncoc3c2)cc1)N(C(=O)C1CCCCC1)c1cccc(/C=C/C)c1.[2H]C(c1ccc(-c2ccc3oncc3c2)cc1)N(C(=O)C1CCCCC1)c1cccc(/C=C/C)c1.[2H][C@@H](c1ccc(-c2ccc(N(C)C)cc2)cc1)N(C(=O)[C@H]1C[C@H]2CC[C@@H]1C2)c1cc(F)cc(/C=C/C(C)=O)c1.[2H][C@H](c1ccc(-c2ccc(N(C)C)cc2)cc1)N(C(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)c1cc(F)cc(/C=C/C(C)=O)c1.[2H][C@H](c1ccc(-c2ccc(N(C)C)cc2)cc1)N(C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2)c1cc(F)cc(/C=C/C(C)=O)c1
InChIInChI=1S/3C33H35FN2O2.C32H34N2O.C31H32N2OS.2C30H30N2O2/c3*1-22(37)4-5-25-17-29(34)20-31(18-25)36(33(38)32-19-24-8-11-28(32)16-24)21-23-6-9-26(10-7-23)27-12-14-30(15-13-27)35(2)3;1-3-8-24-9-7-12-30(20-24)34(32(35)27-10-5-4-6-11-27)22-25-13-15-26(16-14-25)28-17-18-31-29(21-28)19-23(2)33-31;1-3-8-23-9-7-12-28(19-23)33(31(34)26-10-5-4-6-11-26)21-24-13-15-25(16-14-24)27-17-18-29-30(20-27)35-22(2)32-29;1-2-7-22-8-6-11-28(18-22)32(30(33)25-9-4-3-5-10-25)21-23-12-14-24(15-13-23)26-16-17-29-27(19-26)20-31-34-29;1-2-7-22-8-6-11-27(18-22)32(30(33)25-9-4-3-5-10-25)20-23-12-14-24(15-13-23)26-16-17-28-29(19-26)34-21-31-28/h3*4-7,9-10,12-15,17-18,20,24,28,32H,8,11,16,19,21H2,1-3H3;3,7-9,12-18,20-21,27H,4-6,10-11,19,22H2,1-2H3;3,7-9,12-20,26H,4-6,10-11,21H2,1-2H3;2,6-8,11-20,25H,3-5,9-10,21H2,1H3;2,6-8,11-19,21,25H,3-5,9-10,20H2,1H3/b3*5-4+;2*8-3+;2*7-2+/t24-,28+,32+;2*24-,28+,32-;;;;/m010..../s1/i3*21D;22D;2*21D;20D/t21-,24+,28-,32-;2*21-,24-,28+,32-;;;;/m110....
InChIKeyNWRPGAYEIGMJPE-RRAZNBCRSA-N
XLogP53.24
TPSA280.41 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds48
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003383.48
LogP ≤ 553.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze N-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide with MolForge

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Related Compounds

methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole
CID 158586125
Methane;2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;5-(2-methylpropyl)-2,1,3-benzothiadiazole;5-(2-methylpropyl)-2,1,3-benzoxadiazole;5-(2-methylpropyl)-1,3-benzoxazole;6-(2-methylpropyl)-1,3-benzoxazole
CID 157052790
N-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide
CID 157268156
methyl (E)-3-[3-[[4-(1,3-benzothiazol-6-yl)phenyl]methyl-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate;methyl (E)-3-[3-[[4-(1,3-benzoxazol-6-yl)phenyl]methyl-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate;methyl 2-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]cyclohexane-1-carboxylate;methyl 2-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]cyclopentane-1-carboxylate;methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-(3H-indol-5-yl)phenyl]methyl]amino]phenyl]prop-2-enoate;methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]amino]phenyl]prop-2-enoate
CID 157488838
2,3,5-trimethyl-6-[3-(5-methyl-1,3-benzothiazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(6-methyl-1,3-benzothiazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-1,3-benzoxazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(4-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(6-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-1,3-thiazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1,3-oxazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione
CID 157609499
Methane;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole
CID 159151663
2-Propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole
CID 159900281
2-Propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2,3-benzothiadiazole;5-propan-2-yl-1,2,3-benzothiadiazole;6-propan-2-yl-1,2,3-benzothiadiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole
CID 160447112
methyl (E)-3-[3-[[4-(1,3-benzothiazol-6-yl)phenyl]methyl-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate;methyl (E)-3-[3-[[4-(1,3-benzoxazol-6-yl)phenyl]methyl-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate;methyl 2-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]cyclohexane-1-carboxylate;methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-(3H-indol-5-yl)phenyl]methyl]amino]phenyl]prop-2-enoate;methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]amino]phenyl]prop-2-enoate;methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-(2-methyl-1,3-benzoxazol-6-yl)phenyl]methyl]amino]phenyl]prop-2-enoate
CID 160622143
methyl (E)-3-[3-[[[4-(1,3-benzothiazol-6-yl)phenyl]-deuteriomethyl]-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate;methyl (E)-3-[3-[[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate;methyl 2-[3-[cyclohexanecarbonyl-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]cyclohexane-1-carboxylate;methyl (E)-3-[3-[cyclohexanecarbonyl-[deuterio-[4-(3H-indol-5-yl)phenyl]methyl]amino]phenyl]prop-2-enoate;methyl (E)-3-[3-[cyclohexanecarbonyl-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]amino]phenyl]prop-2-enoate;methyl (E)-3-[3-[cyclohexanecarbonyl-[deuterio-[4-(2-methyl-1,3-benzoxazol-6-yl)phenyl]methyl]amino]phenyl]prop-2-enoate
CID 160622144
methyl (E)-3-[3-[[[4-(1,3-benzothiazol-6-yl)phenyl]-deuteriomethyl]-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate;methyl (E)-3-[3-[[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate;methyl 2-[3-[cyclohexanecarbonyl-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]cyclohexane-1-carboxylate;methyl 2-[3-[cyclohexanecarbonyl-[deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]cyclopentane-1-carboxylate;methyl (E)-3-[3-[cyclohexanecarbonyl-[deuterio-[4-(3H-indol-5-yl)phenyl]methyl]amino]phenyl]prop-2-enoate
CID 160866167
Methane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2,3-benzothiadiazole;5-propan-2-yl-1,2,3-benzothiadiazole;6-propan-2-yl-1,2,3-benzothiadiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-1-benzothiophene;7-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole
CID 161486447

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide (CID 159906910) is N-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide is [2H]C(c1ccc(-c2ccc3c(c2)CC(C)=N3)cc1)N(C(=O)C1CCCCC1)c1cccc(/C=C/C)c1.[2H]C(c1ccc(-c2ccc3nc(C)sc3c2)cc1)N(C(=O)C1CCCCC1)c1cccc(/C=C/C)c1.[2H]C(c1ccc(-c2ccc3ncoc3c2)cc1)N(C(=O)C1CCCCC1)c1cccc(/C=C/C)c1.[2H]C(c1ccc(-c2ccc3oncc3c2)cc1)N(C(=O)C1CCCCC1)c1cccc(/C=C/C)c1.[2H][C@@H](c1ccc(-c2ccc(N(C)C)cc2)cc1)N(C(=O)[C@H]1C[C@H]2CC[C@@H]1C2)c1cc(F)cc(/C=C/C(C)=O)c1.[2H][C@H](c1ccc(-c2ccc(N(C)C)cc2)cc1)N(C(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)c1cc(F)cc(/C=C/C(C)=O)c1.[2H][C@H](c1ccc(-c2ccc(N(C)C)cc2)cc1)N(C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2)c1cc(F)cc(/C=C/C(C)=O)c1.
What is the InChIKey of N-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide?
The InChIKey is NWRPGAYEIGMJPE-RRAZNBCRSA-N. The full InChI is InChI=1S/3C33H35FN2O2.C32H34N2O.C31H32N2OS.2C30H30N2O2/c3*1-22(37)4-5-25-17-29(34)20-31(18-25)36(33(38)32-19-24-8-11-28(32)16-24)21-23-6-9-26(10-7-23)27-12-14-30(15-13-27)35(2)3;1-3-8-24-9-7-12-30(20-24)34(32(35)27-10-5-4-6-11-27)22-25-13-15-26(16-14-25)28-17-18-31-29(21-28)19-23(2)33-31;1-3-8-23-9-7-12-28(19-23)33(31(34)26-10-5-4-6-11-26)21-24-13-15-25(16-14-24)27-17-18-29-30(20-27)35-22(2)32-29;1-2-7-22-8-6-11-28(18-22)32(30(33)25-9-4-3-5-10-25)21-23-12-14-24(15-13-23)26-16-17-29-27(19-26)20-31-34-29;1-2-7-22-8-6-11-27(18-22)32(30(33)25-9-4-3-5-10-25)20-23-12-14-24(15-13-23)26-16-17-28-29(19-26)34-21-31-28/h3*4-7,9-10,12-15,17-18,20,24,28,32H,8,11,16,19,21H2,1-3H3;3,7-9,12-18,20-21,27H,4-6,10-11,19,22H2,1-2H3;3,7-9,12-20,26H,4-6,10-11,21H2,1-2H3;2,6-8,11-20,25H,3-5,9-10,21H2,1H3;2,6-8,11-19,21,25H,3-5,9-10,20H2,1H3/b3*5-4+;2*8-3+;2*7-2+/t24-,28+,32+;2*24-,28+,32-;;;;/m010..../s1/i3*21D;22D;2*21D;20D/t21-,24+,28-,32-;2*21-,24-,28+,32-;;;;/m110.....
What are the key properties of N-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide?
N-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide has a molecular weight of 3383.48 g/mol, XLogP of 53.24, 48 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,2-benzoxazol-5-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[[4-(1,3-benzoxazol-6-yl)phenyl]-deuteriomethyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;(1R,2R,4S)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,4R)-N-[(R)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;(1R,2S,4S)-N-[(S)-deuterio-[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-fluoro-5-[(E)-3-oxobut-1-enyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide;N-[deuterio-[4-(2-methyl-3H-indol-5-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 159906910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).