(4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

C168H172N26O11S2 — CID 160649497

IUPAC(4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCC1=NC2(CCc3c(-c4ccsc4)ccc(-c4ccsc4)c3C2)CO1.CC1=NC2(CCc3c(-c4cncnc4)ccc(-c4cncnc4)c3C2)CO1.CC1=NC2(CCc3cc(-c4c(C)nn(C)c4C)ccc3C2)CO1.CC1=NC2(CCc3cc(-c4ccncc4)ccc3C2)CO1.CC1=NC2(CCc3cc(-c4cncnc4)ccc3C2)CO1.COc1ccc(-c2cncnc2)c2c1CC1(CC2)N=C(C)OC1C.COc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)N=C(C)O[C@@H]1C.[2H]C1([2H])OC(C)=N[C@@]12CCc1cccc(-c3cncnc3)c1C2.[2H]C1([2H])OC(C)=N[C@]12CCc1cccc(-c3cncnc3)c1C2
InChIInChI=1S/C21H19N5O.C21H19NOS2.2C19H21N3O2.C19H23N3O.C18H18N2O.3C17H17N3O/c1-14-26-21(11-27-14)5-4-19-17(15-7-22-12-23-8-15)2-3-18(20(19)6-21)16-9-24-13-25-10-16;1-14-22-21(13-23-14)7-4-19-17(15-5-8-24-11-15)2-3-18(20(19)10-21)16-6-9-25-12-16;2*1-12-19(22-13(2)24-12)7-6-16-15(14-9-20-11-21-10-14)4-5-18(23-3)17(16)8-19;1-12-18(13(2)22(4)21-12)16-5-6-17-10-19(8-7-15(17)9-16)11-23-14(3)20-19;1-13-20-18(12-21-13)7-4-16-10-15(2-3-17(16)11-18)14-5-8-19-9-6-14;1-12-20-17(10-21-12)5-4-14-6-13(2-3-15(14)7-17)16-8-18-11-19-9-16;2*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/h2-3,7-10,12-13H,4-6,11H2,1H3;2-3,5-6,8-9,11-12H,4,7,10,13H2,1H3;2*4-5,9-12H,6-8H2,1-3H3;5-6,9H,7-8,10-11H2,1-4H3;2-3,5-6,8-10H,4,7,11-12H2,1H3;2-3,6,8-9,11H,4-5,7,10H2,1H3;2*2-4,8-9,11H,5-7,10H2,1H3/t;;12-,19+;;;;;2*17-/m..1....10/s1/i;;;;;;;2*10D2
InChIKeyRKFPMSVDBRSOJA-DNJBZCESSA-N
MW2799.55 g/mol
LogP30.79
Rot. Bonds13

About (4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

(4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (PubChem CID 160649497) has the molecular formula C168H172N26O11S2 and a molecular weight of 2799.55 g/mol. Its IUPAC name is (4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].

Molecular Properties

Compound Name(4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
PubChem CID160649497
Molecular FormulaC168H172N26O11S2
Molecular Weight2799.55 g/mol
Exact Mass2797.34
IUPAC Name(4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCC1=NC2(CCc3c(-c4ccsc4)ccc(-c4ccsc4)c3C2)CO1.CC1=NC2(CCc3c(-c4cncnc4)ccc(-c4cncnc4)c3C2)CO1.CC1=NC2(CCc3cc(-c4c(C)nn(C)c4C)ccc3C2)CO1.CC1=NC2(CCc3cc(-c4ccncc4)ccc3C2)CO1.CC1=NC2(CCc3cc(-c4cncnc4)ccc3C2)CO1.COc1ccc(-c2cncnc2)c2c1CC1(CC2)N=C(C)OC1C.COc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)N=C(C)O[C@@H]1C.[2H]C1([2H])OC(C)=N[C@@]12CCc1cccc(-c3cncnc3)c1C2.[2H]C1([2H])OC(C)=N[C@]12CCc1cccc(-c3cncnc3)c1C2
InChIInChI=1S/C21H19N5O.C21H19NOS2.2C19H21N3O2.C19H23N3O.C18H18N2O.3C17H17N3O/c1-14-26-21(11-27-14)5-4-19-17(15-7-22-12-23-8-15)2-3-18(20(19)6-21)16-9-24-13-25-10-16;1-14-22-21(13-23-14)7-4-19-17(15-5-8-24-11-15)2-3-18(20(19)10-21)16-6-9-25-12-16;2*1-12-19(22-13(2)24-12)7-6-16-15(14-9-20-11-21-10-14)4-5-18(23-3)17(16)8-19;1-12-18(13(2)22(4)21-12)16-5-6-17-10-19(8-7-15(17)9-16)11-23-14(3)20-19;1-13-20-18(12-21-13)7-4-16-10-15(2-3-17(16)11-18)14-5-8-19-9-6-14;1-12-20-17(10-21-12)5-4-14-6-13(2-3-15(14)7-17)16-8-18-11-19-9-16;2*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/h2-3,7-10,12-13H,4-6,11H2,1H3;2-3,5-6,8-9,11-12H,4,7,10,13H2,1H3;2*4-5,9-12H,6-8H2,1-3H3;5-6,9H,7-8,10-11H2,1-4H3;2-3,5-6,8-10H,4,7,11-12H2,1H3;2-3,6,8-9,11H,4-5,7,10H2,1H3;2*2-4,8-9,11H,5-7,10H2,1H3/t;;12-,19+;;;;;2*17-/m..1....10/s1/i;;;;;;;2*10D2
InChIKeyRKFPMSVDBRSOJA-DNJBZCESSA-N
XLogP30.79
TPSA423.94 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds13
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002799.55
LogP ≤ 530.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze (4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] with MolForge

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Related Compounds

(3R)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 157072943
(4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];(3R,5'R)-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S,5'R)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine;2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-8-pyrazin-2-ylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];2'-methyl-8-(1,3-thiazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine
CID 157095789
CID 157645781
CID 157645781
CID 158194403
CID 158194403
2'-ethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];methane;5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2-methyl-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-ol;(3R)-2'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 158428867
(4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];(3R,5'R)-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];(3R,5'S)-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];2'-methyl-8-pyrazin-2-ylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-8-(1,3-thiazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]-2'-amine
CID 159799324
2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(4R)-2-methyl-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-ol;(4S)-2-methyl-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-ol
CID 159930055
2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];(3R,5'R)-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];(3R,5'S)-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-8-(1,3-thiazol-4-yl)spiro[2,4-dihydrochromene-3,4'-5H-1,3-oxazole]
CID 160145665
1-[3-[[4-[5-(2,5-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(3-methoxyphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-[(E)-2-(3-methylphenyl)ethenyl]thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(3-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol;1-[3-[[4-[5-(4-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]methyl]phenyl]ethanol
CID 160496424
5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(4R)-2-methyl-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-ol;(4S)-2-methyl-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-ol
CID 161760992

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The IUPAC name of (4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (CID 160649497) is (4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].
What is the SMILES notation for (4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The canonical SMILES for (4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is CC1=NC2(CCc3c(-c4ccsc4)ccc(-c4ccsc4)c3C2)CO1.CC1=NC2(CCc3c(-c4cncnc4)ccc(-c4cncnc4)c3C2)CO1.CC1=NC2(CCc3cc(-c4c(C)nn(C)c4C)ccc3C2)CO1.CC1=NC2(CCc3cc(-c4ccncc4)ccc3C2)CO1.CC1=NC2(CCc3cc(-c4cncnc4)ccc3C2)CO1.COc1ccc(-c2cncnc2)c2c1CC1(CC2)N=C(C)OC1C.COc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)N=C(C)O[C@@H]1C.[2H]C1([2H])OC(C)=N[C@@]12CCc1cccc(-c3cncnc3)c1C2.[2H]C1([2H])OC(C)=N[C@]12CCc1cccc(-c3cncnc3)c1C2.
What is the InChIKey of (4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The InChIKey is RKFPMSVDBRSOJA-DNJBZCESSA-N. The full InChI is InChI=1S/C21H19N5O.C21H19NOS2.2C19H21N3O2.C19H23N3O.C18H18N2O.3C17H17N3O/c1-14-26-21(11-27-14)5-4-19-17(15-7-22-12-23-8-15)2-3-18(20(19)6-21)16-9-24-13-25-10-16;1-14-22-21(13-23-14)7-4-19-17(15-5-8-24-11-15)2-3-18(20(19)10-21)16-6-9-25-12-16;2*1-12-19(22-13(2)24-12)7-6-16-15(14-9-20-11-21-10-14)4-5-18(23-3)17(16)8-19;1-12-18(13(2)22(4)21-12)16-5-6-17-10-19(8-7-15(17)9-16)11-23-14(3)20-19;1-13-20-18(12-21-13)7-4-16-10-15(2-3-17(16)11-18)14-5-8-19-9-6-14;1-12-20-17(10-21-12)5-4-14-6-13(2-3-15(14)7-17)16-8-18-11-19-9-16;2*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/h2-3,7-10,12-13H,4-6,11H2,1H3;2-3,5-6,8-9,11-12H,4,7,10,13H2,1H3;2*4-5,9-12H,6-8H2,1-3H3;5-6,9H,7-8,10-11H2,1-4H3;2-3,5-6,8-10H,4,7,11-12H2,1H3;2-3,6,8-9,11H,4-5,7,10H2,1H3;2*2-4,8-9,11H,5-7,10H2,1H3/t;;12-,19+;;;;;2*17-/m..1....10/s1/i;;;;;;;2*10D2.
What are the key properties of (4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
(4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] has a molecular weight of 2799.55 g/mol, XLogP of 30.79, 13 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(3S,5'R)-5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(pyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-5,8-di(thiophen-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyridin-4-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is sourced from PubChem (CID 160649497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).