(4S)-5,5-dideuterio-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene]-2-amine;(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];(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];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];(3S)-2'-methyl-8-pyridin-3-ylspiro[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

C184H186N30O16S2 — CID 158194403

IUPAC(4S)-5,5-dideuterio-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene]-2-amine;(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];(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];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];(3S)-2'-methyl-8-pyridin-3-ylspiro[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
SMILESCC1=NC2(CCc3c(-c4ccsc4)ccc(-c4ccsc4)c3C2)CO1.CC1=NC2(CCc3c(-c4cncnc4)ccc(-c4cncnc4)c3C2)CO1.CC1=N[C@@]2(CCc3c(-c4cncnc4)ccc(O)c3C2)CO1.CC1=N[C@]2(CCc3c(-c4cncnc4)ccc(O)c3C2)CO1.CC1=N[C@]2(CCc3c(cccc3-c3cccnc3)C2)CO1.COc1ccc(-c2cncnc2)c2c1CC1(CC2)N=C(C)OC1C.COc1ccc(-c2cncnc2)c2c1C[C@@]1(CC2)COC(C)=N1.COc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)COC(C)=N1.COc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)N=C(C)O[C@@H]1C.[2H]C1([2H])OC(N)=N[C@]12CCc1cccc(-c3cncnc3)c1C2
InChIInChI=1S/C21H19N5O.C21H19NOS2.2C19H21N3O2.2C18H19N3O2.C18H18N2O.2C17H17N3O2.C16H16N4O/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;2*1-12-21-18(10-23-12)6-5-15-14(13-8-19-11-20-9-13)3-4-17(22-2)16(15)7-18;1-13-20-18(12-21-13)8-7-17-14(10-18)4-2-6-16(17)15-5-3-9-19-11-15;2*1-11-20-17(9-22-11)5-4-14-13(12-7-18-10-19-8-12)2-3-16(21)15(14)6-17;17-15-20-16(9-21-15)5-4-11-2-1-3-13(14(11)6-16)12-7-18-10-19-8-12/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;2*3-4,8-9,11H,5-7,10H2,1-2H3;2-6,9,11H,7-8,10,12H2,1H3;2*2-3,7-8,10,21H,4-6,9H2,1H3;1-3,7-8,10H,4-6,9H2,(H2,17,20)/t;;12-,19+;;3*18-;2*17-;16-/m..1.100100/s1/i;;;;;;;;;9D2
InChIKeyGADXBEMGEHMVMR-GVFKGECVSA-N
MW3139.85 g/mol
LogP31.38
Rot. Bonds16

About (4S)-5,5-dideuterio-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene]-2-amine;(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];(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];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];(3S)-2'-methyl-8-pyridin-3-ylspiro[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

(4S)-5,5-dideuterio-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene]-2-amine;(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];(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];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];(3S)-2'-methyl-8-pyridin-3-ylspiro[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 (PubChem CID 158194403) has the molecular formula C184H186N30O16S2 and a molecular weight of 3139.85 g/mol. Its IUPAC name is (4S)-5,5-dideuterio-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene]-2-amine;(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];(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];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];(3S)-2'-methyl-8-pyridin-3-ylspiro[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.

Molecular Properties

Compound Name(4S)-5,5-dideuterio-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene]-2-amine;(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];(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];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];(3S)-2'-methyl-8-pyridin-3-ylspiro[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
PubChem CID158194403
Molecular FormulaC184H186N30O16S2
Molecular Weight3139.85 g/mol
Exact Mass3137.42
IUPAC Name(4S)-5,5-dideuterio-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene]-2-amine;(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];(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];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];(3S)-2'-methyl-8-pyridin-3-ylspiro[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
SMILESCC1=NC2(CCc3c(-c4ccsc4)ccc(-c4ccsc4)c3C2)CO1.CC1=NC2(CCc3c(-c4cncnc4)ccc(-c4cncnc4)c3C2)CO1.CC1=N[C@@]2(CCc3c(-c4cncnc4)ccc(O)c3C2)CO1.CC1=N[C@]2(CCc3c(-c4cncnc4)ccc(O)c3C2)CO1.CC1=N[C@]2(CCc3c(cccc3-c3cccnc3)C2)CO1.COc1ccc(-c2cncnc2)c2c1CC1(CC2)N=C(C)OC1C.COc1ccc(-c2cncnc2)c2c1C[C@@]1(CC2)COC(C)=N1.COc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)COC(C)=N1.COc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)N=C(C)O[C@@H]1C.[2H]C1([2H])OC(N)=N[C@]12CCc1cccc(-c3cncnc3)c1C2
InChIInChI=1S/C21H19N5O.C21H19NOS2.2C19H21N3O2.2C18H19N3O2.C18H18N2O.2C17H17N3O2.C16H16N4O/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;2*1-12-21-18(10-23-12)6-5-15-14(13-8-19-11-20-9-13)3-4-17(22-2)16(15)7-18;1-13-20-18(12-21-13)8-7-17-14(10-18)4-2-6-16(17)15-5-3-9-19-11-15;2*1-11-20-17(9-22-11)5-4-14-13(12-7-18-10-19-8-12)2-3-16(21)15(14)6-17;17-15-20-16(9-21-15)5-4-11-2-1-3-13(14(11)6-16)12-7-18-10-19-8-12/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;2*3-4,8-9,11H,5-7,10H2,1-2H3;2-6,9,11H,7-8,10,12H2,1H3;2*2-3,7-8,10,21H,4-6,9H2,1H3;1-3,7-8,10H,4-6,9H2,(H2,17,20)/t;;12-,19+;;3*18-;2*17-;16-/m..1.100100/s1/i;;;;;;;;;9D2
InChIKeyGADXBEMGEHMVMR-GVFKGECVSA-N
XLogP31.38
TPSA564.21 Ų
H-Bond Donors3
H-Bond Acceptors48
Rotatable Bonds16
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003139.85
LogP ≤ 531.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1048

Analyze (4S)-5,5-dideuterio-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene]-2-amine;(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];(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];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];(3S)-2'-methyl-8-pyridin-3-ylspiro[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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dideuterio-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene]-2-amine;(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];(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];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];(3S)-2'-methyl-8-pyridin-3-ylspiro[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?
The IUPAC name of (4S)-5,5-dideuterio-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene]-2-amine;(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];(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];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];(3S)-2'-methyl-8-pyridin-3-ylspiro[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 158194403) is (4S)-5,5-dideuterio-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene]-2-amine;(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];(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];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];(3S)-2'-methyl-8-pyridin-3-ylspiro[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.
What is the SMILES notation for (4S)-5,5-dideuterio-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene]-2-amine;(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];(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];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];(3S)-2'-methyl-8-pyridin-3-ylspiro[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?
The canonical SMILES for (4S)-5,5-dideuterio-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene]-2-amine;(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];(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];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];(3S)-2'-methyl-8-pyridin-3-ylspiro[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 is CC1=NC2(CCc3c(-c4ccsc4)ccc(-c4ccsc4)c3C2)CO1.CC1=NC2(CCc3c(-c4cncnc4)ccc(-c4cncnc4)c3C2)CO1.CC1=N[C@@]2(CCc3c(-c4cncnc4)ccc(O)c3C2)CO1.CC1=N[C@]2(CCc3c(-c4cncnc4)ccc(O)c3C2)CO1.CC1=N[C@]2(CCc3c(cccc3-c3cccnc3)C2)CO1.COc1ccc(-c2cncnc2)c2c1CC1(CC2)N=C(C)OC1C.COc1ccc(-c2cncnc2)c2c1C[C@@]1(CC2)COC(C)=N1.COc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)COC(C)=N1.COc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)N=C(C)O[C@@H]1C.[2H]C1([2H])OC(N)=N[C@]12CCc1cccc(-c3cncnc3)c1C2.
What is the InChIKey of (4S)-5,5-dideuterio-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene]-2-amine;(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];(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];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];(3S)-2'-methyl-8-pyridin-3-ylspiro[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?
The InChIKey is GADXBEMGEHMVMR-GVFKGECVSA-N. The full InChI is InChI=1S/C21H19N5O.C21H19NOS2.2C19H21N3O2.2C18H19N3O2.C18H18N2O.2C17H17N3O2.C16H16N4O/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;2*1-12-21-18(10-23-12)6-5-15-14(13-8-19-11-20-9-13)3-4-17(22-2)16(15)7-18;1-13-20-18(12-21-13)8-7-17-14(10-18)4-2-6-16(17)15-5-3-9-19-11-15;2*1-11-20-17(9-22-11)5-4-14-13(12-7-18-10-19-8-12)2-3-16(21)15(14)6-17;17-15-20-16(9-21-15)5-4-11-2-1-3-13(14(11)6-16)12-7-18-10-19-8-12/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;2*3-4,8-9,11H,5-7,10H2,1-2H3;2-6,9,11H,7-8,10,12H2,1H3;2*2-3,7-8,10,21H,4-6,9H2,1H3;1-3,7-8,10H,4-6,9H2,(H2,17,20)/t;;12-,19+;;3*18-;2*17-;16-/m..1.100100/s1/i;;;;;;;;;9D2.
What are the key properties of (4S)-5,5-dideuterio-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene]-2-amine;(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];(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];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];(3S)-2'-methyl-8-pyridin-3-ylspiro[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?
(4S)-5,5-dideuterio-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene]-2-amine;(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];(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];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];(3S)-2'-methyl-8-pyridin-3-ylspiro[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 has a molecular weight of 3139.85 g/mol, XLogP of 31.38, 16 rotatable bonds, 3 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-dideuterio-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene]-2-amine;(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];(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];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];(3S)-2'-methyl-8-pyridin-3-ylspiro[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 is sourced from PubChem (CID 158194403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).