(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

C149H146N26O15S — CID 159799324

IUPAC(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
SMILESCC1=NC2(CCc3cc(-c4ccncc4)ccc3C2)CO1.CC1=NC2(CCc3cc(-c4cncnc4)ccc3C2)CO1.CC1=NC2(CO1)COc1c(cccc1-c1cnccn1)C2.CC1=NC2(CO1)COc1c(cccc1-c1cscn1)C2.CC1=NC2(COc3c(cccc3-c3cncnc3)C2)C(C)O1.CC1=N[C@]2(COc3c(cccc3-c3cncnc3)C2)[C@@H](C)O1.CC1=N[C@]2(COc3c(cccc3-c3cncnc3)C2)[C@H](C)O1.NC1=N[C@@]2(CO1)COc1c(cccc1-c1cncnc1)C2.[2H]C1([2H])OC(C)=N[C@@]12CCc1cccc(-c3cncnc3)c1C2
InChIInChI=1S/C18H18N2O.3C17H17N3O2.2C17H17N3O.C16H15N3O2.C15H14N4O2.C15H14N2O2S/c1-13-20-18(12-21-13)7-4-16-10-15(2-3-17(16)11-18)14-5-8-19-9-6-14;3*1-11-17(20-12(2)22-11)6-13-4-3-5-15(16(13)21-9-17)14-7-18-10-19-8-14;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;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;1-11-19-16(9-20-11)7-12-3-2-4-13(15(12)21-10-16)14-8-17-5-6-18-14;16-14-19-15(8-21-14)4-10-2-1-3-12(13(10)20-7-15)11-5-17-9-18-6-11;1-10-17-15(7-18-10)5-11-3-2-4-12(14(11)19-8-15)13-6-20-9-16-13/h2-3,5-6,8-10H,4,7,11-12H2,1H3;3*3-5,7-8,10-11H,6,9H2,1-2H3;2-3,6,8-9,11H,4-5,7,10H2,1H3;2-4,8-9,11H,5-7,10H2,1H3;2-6,8H,7,9-10H2,1H3;1-3,5-6,9H,4,7-8H2,(H2,16,19);2-4,6,9H,5,7-8H2,1H3/t;11-,17+;11-,17-;;;17-;;15-;/m.01..1.1./s1/i;;;;;10D2;;;
InChIKeyNJOUXLSUCUAGGI-SDDGFDSXSA-N
MW2575.05 g/mol
LogP23.39
Rot. Bonds9

About (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

(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 (PubChem CID 159799324) has the molecular formula C149H146N26O15S and a molecular weight of 2575.05 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];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.

Molecular Properties

Compound Name(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
PubChem CID159799324
Molecular FormulaC149H146N26O15S
Molecular Weight2575.05 g/mol
Exact Mass2573.13
IUPAC Name(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
SMILESCC1=NC2(CCc3cc(-c4ccncc4)ccc3C2)CO1.CC1=NC2(CCc3cc(-c4cncnc4)ccc3C2)CO1.CC1=NC2(CO1)COc1c(cccc1-c1cnccn1)C2.CC1=NC2(CO1)COc1c(cccc1-c1cscn1)C2.CC1=NC2(COc3c(cccc3-c3cncnc3)C2)C(C)O1.CC1=N[C@]2(COc3c(cccc3-c3cncnc3)C2)[C@@H](C)O1.CC1=N[C@]2(COc3c(cccc3-c3cncnc3)C2)[C@H](C)O1.NC1=N[C@@]2(CO1)COc1c(cccc1-c1cncnc1)C2.[2H]C1([2H])OC(C)=N[C@@]12CCc1cccc(-c3cncnc3)c1C2
InChIInChI=1S/C18H18N2O.3C17H17N3O2.2C17H17N3O.C16H15N3O2.C15H14N4O2.C15H14N2O2S/c1-13-20-18(12-21-13)7-4-16-10-15(2-3-17(16)11-18)14-5-8-19-9-6-14;3*1-11-17(20-12(2)22-11)6-13-4-3-5-15(16(13)21-9-17)14-7-18-10-19-8-14;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;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;1-11-19-16(9-20-11)7-12-3-2-4-13(15(12)21-10-16)14-8-17-5-6-18-14;16-14-19-15(8-21-14)4-10-2-1-3-12(13(10)20-7-15)11-5-17-9-18-6-11;1-10-17-15(7-18-10)5-11-3-2-4-12(14(11)19-8-15)13-6-20-9-16-13/h2-3,5-6,8-10H,4,7,11-12H2,1H3;3*3-5,7-8,10-11H,6,9H2,1-2H3;2-3,6,8-9,11H,4-5,7,10H2,1H3;2-4,8-9,11H,5-7,10H2,1H3;2-6,8H,7,9-10H2,1H3;1-3,5-6,9H,4,7-8H2,(H2,16,19);2-4,6,9H,5,7-8H2,1H3/t;11-,17+;11-,17-;;;17-;;15-;/m.01..1.1./s1/i;;;;;10D2;;;
InChIKeyNJOUXLSUCUAGGI-SDDGFDSXSA-N
XLogP23.39
TPSA481.95 Ų
H-Bond Donors1
H-Bond Acceptors42
Rotatable Bonds9
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002575.05
LogP ≤ 523.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1042

Analyze (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 with MolForge

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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];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?
The IUPAC name of (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) is (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.
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];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?
The canonical SMILES for (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 is CC1=NC2(CCc3cc(-c4ccncc4)ccc3C2)CO1.CC1=NC2(CCc3cc(-c4cncnc4)ccc3C2)CO1.CC1=NC2(CO1)COc1c(cccc1-c1cnccn1)C2.CC1=NC2(CO1)COc1c(cccc1-c1cscn1)C2.CC1=NC2(COc3c(cccc3-c3cncnc3)C2)C(C)O1.CC1=N[C@]2(COc3c(cccc3-c3cncnc3)C2)[C@@H](C)O1.CC1=N[C@]2(COc3c(cccc3-c3cncnc3)C2)[C@H](C)O1.NC1=N[C@@]2(CO1)COc1c(cccc1-c1cncnc1)C2.[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];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?
The InChIKey is NJOUXLSUCUAGGI-SDDGFDSXSA-N. The full InChI is InChI=1S/C18H18N2O.3C17H17N3O2.2C17H17N3O.C16H15N3O2.C15H14N4O2.C15H14N2O2S/c1-13-20-18(12-21-13)7-4-16-10-15(2-3-17(16)11-18)14-5-8-19-9-6-14;3*1-11-17(20-12(2)22-11)6-13-4-3-5-15(16(13)21-9-17)14-7-18-10-19-8-14;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;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;1-11-19-16(9-20-11)7-12-3-2-4-13(15(12)21-10-16)14-8-17-5-6-18-14;16-14-19-15(8-21-14)4-10-2-1-3-12(13(10)20-7-15)11-5-17-9-18-6-11;1-10-17-15(7-18-10)5-11-3-2-4-12(14(11)19-8-15)13-6-20-9-16-13/h2-3,5-6,8-10H,4,7,11-12H2,1H3;3*3-5,7-8,10-11H,6,9H2,1-2H3;2-3,6,8-9,11H,4-5,7,10H2,1H3;2-4,8-9,11H,5-7,10H2,1H3;2-6,8H,7,9-10H2,1H3;1-3,5-6,9H,4,7-8H2,(H2,16,19);2-4,6,9H,5,7-8H2,1H3/t;11-,17+;11-,17-;;;17-;;15-;/m.01..1.1./s1/i;;;;;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];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?
(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 has a molecular weight of 2575.05 g/mol, XLogP of 23.39, 9 rotatable bonds, 1 hydrogen bond donors, and 42 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];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 is sourced from PubChem (CID 159799324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).