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

IUPAC6-(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
SMILESCC1=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
InChIInChI=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
InChIKeyBKHBUGXXUBBCMH-INTFNFFYSA-N
MW3138.86 g/mol
LogP32.81
Rot. Bonds11

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 Name6-(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 CID157375551
Molecular FormulaC191H197N29O15
Molecular Weight3138.86 g/mol
Exact Mass3136.55
IUPAC Name6-(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
SMILESCC1=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
InChIInChI=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
InChIKeyBKHBUGXXUBBCMH-INTFNFFYSA-N
XLogP32.81
TPSA519.42 Ų
H-Bond Donors1
H-Bond Acceptors44
Rotatable Bonds11
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003138.86
LogP ≤ 532.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1044

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 157375551) 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.
What is the InChIKey of 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?
The InChIKey is BKHBUGXXUBBCMH-INTFNFFYSA-N. The full InChI is 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.
What are the key properties of 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 has a molecular weight of 3138.86 g/mol, XLogP of 32.81, 11 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157375551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).