C125H156N30O15 — CID 158917751
3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]acetamide;3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]acetamide;3-[1-(3-hydroxyphenyl)-4-(2-methylpyrazol-3-yl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol (PubChem CID 158917751) has the molecular formula C125H156N30O15 and a molecular weight of 2318.82 g/mol. Its IUPAC name is 3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]acetamide;3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]acetamide;3-[1-(3-hydroxyphenyl)-4-(2-methylpyrazol-3-yl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol.
| Compound Name | 3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]acetamide;3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]acetamide;3-[1-(3-hydroxyphenyl)-4-(2-methylpyrazol-3-yl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol |
|---|---|
| PubChem CID | 158917751 |
| Molecular Formula | C125H156N30O15 |
| Molecular Weight | 2318.82 g/mol |
| Exact Mass | 2317.24 |
| IUPAC Name | 3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]acetamide;3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]acetamide;3-[1-(3-hydroxyphenyl)-4-(2-methylpyrazol-3-yl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol |
| SMILES | CC(O)Cc1c(-c2ccnn2C)ncn1Cc1cccc(O)c1.CC1=NCC(C)=C1N1CCN(c2cccc(O)c2)C(CCC(N)=O)C1.CC1=NCC(C)=C1c1ncn(Cc2cccc(O)c2)c1CC(C)O.Cc1n[nH]c(C)c1Cc1ncn(Cc2cccc(O)c2)c1CC(N)=O.Cc1noc(C)c1N1CCN(c2cccc(O)c2)C(CCC(N)=O)C1.Cn1nccc1Cc1ncn(Cc2cccc(O)c2)c1CC(N)=O.Cn1nccc1N1CCN(c2cccc(O)c2)C(CCC(N)=O)C1 |
| InChI | InChI=1S/C19H26N4O2.C19H23N3O2.C18H21N5O2.C18H24N4O3.C17H19N5O2.C17H23N5O2.C17H20N4O2/c1-13-11-21-14(2)19(13)22-8-9-23(15-4-3-5-17(24)10-15)16(12-22)6-7-18(20)25;1-12-9-20-14(3)18(12)19-17(7-13(2)23)22(11-21-19)10-15-5-4-6-16(24)8-15;1-11-15(12(2)22-21-11)7-16-17(8-18(19)25)23(10-20-16)9-13-4-3-5-14(24)6-13;1-12-18(13(2)25-20-12)21-8-9-22(14-4-3-5-16(23)10-14)15(11-21)6-7-17(19)24;1-21-13(5-6-20-21)8-15-16(9-17(18)24)22(11-19-15)10-12-3-2-4-14(23)7-12;1-20-17(7-8-19-20)21-9-10-22(13-3-2-4-15(23)11-13)14(12-21)5-6-16(18)24;1-12(22)8-16-17(15-6-7-19-20(15)2)18-11-21(16)10-13-4-3-5-14(23)9-13/h3-5,10,16,24H,6-9,11-12H2,1-2H3,(H2,20,25);4-6,8,11,13,23-24H,7,9-10H2,1-3H3;3-6,10,24H,7-9H2,1-2H3,(H2,19,25)(H,21,22);3-5,10,15,23H,6-9,11H2,1-2H3,(H2,19,24);2-7,11,23H,8-10H2,1H3,(H2,18,24);2-4,7-8,11,14,23H,5-6,9-10,12H2,1H3,(H2,18,24);3-7,9,11-12,22-23H,8,10H2,1-2H3 |
| InChIKey | JHLGKBAGKXXCLS-UHFFFAOYSA-N |
| XLogP | 12.29 |
| TPSA | 621.13 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 170 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2318.82 |
| LogP ≤ 5 | 12.29 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 39 |