6-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];6-(2,6-dimethylphenyl)-2'-methylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-6-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
C191H197N29O15 — CID 157375551
Data last refreshed: (MolForge compound catalog, from PubChem)
About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];6-(2,6-dimethylphenyl)-2'-methylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-6-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];6-(2,6-dimethylphenyl)-2'-methylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-6-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 157375551) has the molecular formula C191H197N29O15 and a molecular weight of 3138.86 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];6-(2,6-dimethylphenyl)-2'-methylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-6-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.
Molecular Properties
| Compound Name | 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];6-(2,6-dimethylphenyl)-2'-methylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-6-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine |
|---|---|
| PubChem CID | 157375551 |
| Molecular Formula | C191H197N29O15 |
| Molecular Weight | 3138.86 g/mol |
| Exact Mass | 3136.55 |
| IUPAC Name | 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];6-(2,6-dimethylphenyl)-2'-methylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-6-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine |
| SMILES | CC1=NC2(CCc3c(cccc3-c3c(C)noc3C)C2)CO1.CC1=NC2(CCc3c(cccc3-c3ccnn3C)C2)CO1.CC1=NC2(CCc3c(cccc3-c3cncnc3)C2)CO1.CC1=NC2(CCc3ccc(-c4cncnc4)cc3C2)CO1.CC1=NC2(CCc3cccc(-c4cccnc4)c3C2)CO1.CC1=NC2(CCc3cccc(-c4cncnc4)c3C2)CO1.CC1=NC2(CO1)COc1ccc(-c3c(C)cccc3C)cc1C2.CC1=NC2(CO1)COc1ccc(-c3c(C)noc3C)cc1C2.CC1=N[C@@]2(CCc3cccc(-c4cncnc4)c3C2)CO1.CC1=N[C@]2(CCc3cccc(-c4cncnc4)c3C2)CO1.NC1=NC2(CCc3cccc(-c4cnccn4)c3C2)CO1 |
| InChI | InChI=1S/C20H21NO2.C18H20N2O2.C18H18N2O.C17H19N3O.5C17H17N3O.C17H18N2O3.C16H16N4O/c1-13-5-4-6-14(2)19(13)16-7-8-18-17(9-16)10-20(12-23-18)11-22-15(3)21-20;1-11-17(12(2)22-20-11)16-6-4-5-14-9-18(8-7-15(14)16)10-21-13(3)19-18;1-13-20-18(12-21-13)8-7-14-4-2-6-16(17(14)10-18)15-5-3-9-19-11-15;1-12-19-17(11-21-12)8-6-14-13(10-17)4-3-5-15(14)16-7-9-18-20(16)2;1-12-20-17(10-21-12)5-4-13-2-3-14(6-15(13)7-17)16-8-18-11-19-9-16;1-12-20-17(10-21-12)6-5-16-13(7-17)3-2-4-15(16)14-8-18-11-19-9-14;3*1-12-20-17(10-21-12)6-5-13-3-2-4-15(16(13)7-17)14-8-18-11-19-9-14;1-10-16(11(2)22-19-10)13-4-5-15-14(6-13)7-17(9-21-15)8-20-12(3)18-17;17-15-20-16(10-21-15)5-4-11-2-1-3-12(13(11)8-16)14-9-18-6-7-19-14/h4-9H,10-12H2,1-3H3;4-6H,7-10H2,1-3H3;2-6,9,11H,7-8,10,12H2,1H3;3-5,7,9H,6,8,10-11H2,1-2H3;2-3,6,8-9,11H,4-5,7,10H2,1H3;4*2-4,8-9,11H,5-7,10H2,1H3;4-6H,7-9H2,1-3H3;1-3,6-7,9H,4-5,8,10H2,(H2,17,20)/t;;;;;;2*17-;;;/m......10.../s1 |
| InChIKey | BKHBUGXXUBBCMH-INTFNFFYSA-N |
| XLogP | 32.81 |
| TPSA | 519.42 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 235 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3138.86 |
| LogP ≤ 5 | 32.81 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 44 |
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