C127H193N9O26S4 — CID 159417718
3-(ethoxymethyl)pyridine;5-(ethoxymethyl)-1,3-thiazole;2-(2-methoxyethyl)furan;5-(2-methoxyethyl)-4-methyl-1,3-thiazole;5-(2-methoxyethyl)-1,2-oxazole;3-(2-methoxyethyl)pyridine;2-(2-methoxyethyl)thiophene;3-(2-methoxyethyl)thiophene;3-(methoxymethyl)furan;3-(methoxymethyl)-3-methyloxetane;3-(methoxymethyl)oxane;4-(methoxymethyl)-1,3-oxazole;3-(methoxymethyl)oxolane;3-(methoxymethyl)pyridine;4-methoxyoxane;3-methoxyoxolane;4-methylphenol;3-prop-1-enylpyridine;3-propylpyridine (PubChem CID 159417718) has the molecular formula C127H193N9O26S4 and a molecular weight of 2390.25 g/mol. Its IUPAC name is 3-(ethoxymethyl)pyridine;5-(ethoxymethyl)-1,3-thiazole;2-(2-methoxyethyl)furan;5-(2-methoxyethyl)-4-methyl-1,3-thiazole;5-(2-methoxyethyl)-1,2-oxazole;3-(2-methoxyethyl)pyridine;2-(2-methoxyethyl)thiophene;3-(2-methoxyethyl)thiophene;3-(methoxymethyl)furan;3-(methoxymethyl)-3-methyloxetane;3-(methoxymethyl)oxane;4-(methoxymethyl)-1,3-oxazole;3-(methoxymethyl)oxolane;3-(methoxymethyl)pyridine;4-methoxyoxane;3-methoxyoxolane;4-methylphenol;3-prop-1-enylpyridine;3-propylpyridine.
| Compound Name | 3-(ethoxymethyl)pyridine;5-(ethoxymethyl)-1,3-thiazole;2-(2-methoxyethyl)furan;5-(2-methoxyethyl)-4-methyl-1,3-thiazole;5-(2-methoxyethyl)-1,2-oxazole;3-(2-methoxyethyl)pyridine;2-(2-methoxyethyl)thiophene;3-(2-methoxyethyl)thiophene;3-(methoxymethyl)furan;3-(methoxymethyl)-3-methyloxetane;3-(methoxymethyl)oxane;4-(methoxymethyl)-1,3-oxazole;3-(methoxymethyl)oxolane;3-(methoxymethyl)pyridine;4-methoxyoxane;3-methoxyoxolane;4-methylphenol;3-prop-1-enylpyridine;3-propylpyridine |
|---|---|
| PubChem CID | 159417718 |
| Molecular Formula | C127H193N9O26S4 |
| Molecular Weight | 2390.25 g/mol |
| Exact Mass | 2388.29 |
| IUPAC Name | 3-(ethoxymethyl)pyridine;5-(ethoxymethyl)-1,3-thiazole;2-(2-methoxyethyl)furan;5-(2-methoxyethyl)-4-methyl-1,3-thiazole;5-(2-methoxyethyl)-1,2-oxazole;3-(2-methoxyethyl)pyridine;2-(2-methoxyethyl)thiophene;3-(2-methoxyethyl)thiophene;3-(methoxymethyl)furan;3-(methoxymethyl)-3-methyloxetane;3-(methoxymethyl)oxane;4-(methoxymethyl)-1,3-oxazole;3-(methoxymethyl)oxolane;3-(methoxymethyl)pyridine;4-methoxyoxane;3-methoxyoxolane;4-methylphenol;3-prop-1-enylpyridine;3-propylpyridine |
| SMILES | CC=Cc1cccnc1.CCCc1cccnc1.CCOCc1cccnc1.CCOCc1cncs1.COC1CCOC1.COC1CCOCC1.COCC1(C)COC1.COCC1CCCOC1.COCC1CCOC1.COCCc1cccnc1.COCCc1ccco1.COCCc1cccs1.COCCc1ccno1.COCCc1ccsc1.COCCc1scnc1C.COCc1cccnc1.COCc1ccoc1.COCc1cocn1.Cc1ccc(O)cc1 |
| InChI | InChI=1S/2C8H11NO.C8H11N.C8H9N.C7H11NOS.C7H9NO.C7H10O2.C7H14O2.2C7H10OS.C7H8O.C6H9NO2.C6H9NOS.3C6H12O2.C6H8O2.C5H7NO2.C5H10O2/c1-10-6-4-8-3-2-5-9-7-8;1-2-10-7-8-4-3-5-9-6-8;2*1-2-4-8-5-3-6-9-7-8;1-6-7(3-4-9-2)10-5-8-6;1-9-6-7-3-2-4-8-5-7;1-8-6-4-7-3-2-5-9-7;1-8-5-7-3-2-4-9-6-7;1-8-4-2-7-3-5-9-6-7;1-8-5-4-7-3-2-6-9-7;1-6-2-4-7(8)5-3-6;1-8-5-3-6-2-4-7-9-6;1-2-8-4-6-3-7-5-9-6;1-6(3-7-2)4-8-5-6;1-7-6-2-4-8-5-3-6;2*1-7-4-6-2-3-8-5-6;1-7-2-5-3-8-4-6-5;1-6-5-2-3-7-4-5/h2-3,5,7H,4,6H2,1H3;3-6H,2,7H2,1H3;3,5-7H,2,4H2,1H3;2-7H,1H3;5H,3-4H2,1-2H3;2-5H,6H2,1H3;2-3,5H,4,6H2,1H3;7H,2-6H2,1H3;3,5-6H,2,4H2,1H3;2-3,6H,4-5H2,1H3;2-5,8H,1H3;2,4H,3,5H2,1H3;3,5H,2,4H2,1H3;3-5H2,1-2H3;2*6H,2-5H2,1H3;2-3,5H,4H2,1H3;3-4H,2H2,1H3;5H,2-4H2,1H3 |
| InChIKey | LPJGZPALZYJPJG-UHFFFAOYSA-N |
| XLogP | 25.37 |
| TPSA | 382.63 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 166 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2390.25 |
| LogP ≤ 5 | 25.37 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 39 |