(2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine

C126H125N25O8 — CID 159027905

IUPAC(2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESCOc1cncc(-c2cccc3c2C[C@@]2(C3)N=C(N)O[C@@H]2C)n1.C[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cccc4cnccc34)c1C2.C[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cccnc3)c1C2.C[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cncc4ccccc34)c1C2.C[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cnccn3)c1C2.Cc1cnc(-c2cccc3c2C[C@@]2(C3)N=C(N)O[C@@H]2C)cn1.Cc1nccnc1-c1cccc2c1C[C@@]1(C2)N=C(N)O[C@@H]1C
InChIInChI=1S/2C21H19N3O.C17H18N4O2.2C17H18N4O.C17H17N3O.C16H16N4O/c1-13-21(24-20(22)25-13)10-14-4-2-7-18(19(14)11-21)17-6-3-5-15-12-23-9-8-16(15)17;1-13-21(24-20(22)25-13)9-14-6-4-8-17(18(14)10-21)19-12-23-11-15-5-2-3-7-16(15)19;1-10-17(21-16(18)23-10)6-11-4-3-5-12(13(11)7-17)14-8-19-9-15(20-14)22-2;1-10-8-20-15(9-19-10)13-5-3-4-12-6-17(7-14(12)13)11(2)22-16(18)21-17;1-10-15(20-7-6-19-10)13-5-3-4-12-8-17(9-14(12)13)11(2)22-16(18)21-17;1-11-17(20-16(18)21-11)8-12-4-2-6-14(15(12)9-17)13-5-3-7-19-10-13;1-10-16(20-15(17)21-10)7-11-3-2-4-12(13(11)8-16)14-9-18-5-6-19-14/h2-9,12-13H,10-11H2,1H3,(H2,22,24);2-8,11-13H,9-10H2,1H3,(H2,22,24);3-5,8-10H,6-7H2,1-2H3,(H2,18,21);3-5,8-9,11H,6-7H2,1-2H3,(H2,18,21);3-7,11H,8-9H2,1-2H3,(H2,18,21);2-7,10-11H,8-9H2,1H3,(H2,18,20);2-6,9-10H,7-8H2,1H3,(H2,17,20)/t2*13-,21-;10-,17-;3*11-,17-;10-,16-/m1111111/s1
InChIKeyJUMVSXXYJDSGPD-VXGMZOIDSA-N
MW2117.55 g/mol
LogP16.75
Rot. Bonds8

About (2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine

(2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 159027905) has the molecular formula C126H125N25O8 and a molecular weight of 2117.55 g/mol. Its IUPAC name is (2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
PubChem CID159027905
Molecular FormulaC126H125N25O8
Molecular Weight2117.55 g/mol
Exact Mass2116.01
IUPAC Name(2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESCOc1cncc(-c2cccc3c2C[C@@]2(C3)N=C(N)O[C@@H]2C)n1.C[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cccc4cnccc34)c1C2.C[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cccnc3)c1C2.C[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cncc4ccccc34)c1C2.C[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cnccn3)c1C2.Cc1cnc(-c2cccc3c2C[C@@]2(C3)N=C(N)O[C@@H]2C)cn1.Cc1nccnc1-c1cccc2c1C[C@@]1(C2)N=C(N)O[C@@H]1C
InChIInChI=1S/2C21H19N3O.C17H18N4O2.2C17H18N4O.C17H17N3O.C16H16N4O/c1-13-21(24-20(22)25-13)10-14-4-2-7-18(19(14)11-21)17-6-3-5-15-12-23-9-8-16(15)17;1-13-21(24-20(22)25-13)9-14-6-4-8-17(18(14)10-21)19-12-23-11-15-5-2-3-7-16(15)19;1-10-17(21-16(18)23-10)6-11-4-3-5-12(13(11)7-17)14-8-19-9-15(20-14)22-2;1-10-8-20-15(9-19-10)13-5-3-4-12-6-17(7-14(12)13)11(2)22-16(18)21-17;1-10-15(20-7-6-19-10)13-5-3-4-12-8-17(9-14(12)13)11(2)22-16(18)21-17;1-11-17(20-16(18)21-11)8-12-4-2-6-14(15(12)9-17)13-5-3-7-19-10-13;1-10-16(20-15(17)21-10)7-11-3-2-4-12(13(11)8-16)14-9-18-5-6-19-14/h2-9,12-13H,10-11H2,1H3,(H2,22,24);2-8,11-13H,9-10H2,1H3,(H2,22,24);3-5,8-10H,6-7H2,1-2H3,(H2,18,21);3-5,8-9,11H,6-7H2,1-2H3,(H2,18,21);3-7,11H,8-9H2,1-2H3,(H2,18,21);2-7,10-11H,8-9H2,1H3,(H2,18,20);2-6,9-10H,7-8H2,1H3,(H2,17,20)/t2*13-,21-;10-,17-;3*11-,17-;10-,16-/m1111111/s1
InChIKeyJUMVSXXYJDSGPD-VXGMZOIDSA-N
XLogP16.75
TPSA484.29 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds8
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002117.55
LogP ≤ 516.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze (2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine with MolForge

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Related Compounds

(3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58466886
(2R,5'R)-5'-methyl-4-(1H-pyrazol-4-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 58466740
(2R,5'R)-5'-methyl-4-(1H-pyrrol-3-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
CID 58467009
8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];methane;5-(6-methoxypyrazin-2-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-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];N-methyl-5-(2-methylspiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)pyrimidin-4-amine;2'-methyl-5-pyrazin-2-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]
CID 158597587
2-methyl-5-naphthalen-1-ylpyrazine
CID 118148882
5-isoquinolin-5-yl-2-methoxyaniline
CID 62812119
1-methyl-4-phenylbenzene;2-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)-4-(3-pyridin-3-ylphenyl)pyrimidine;4-[3-[6-(4-phenylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 159251404
4-(3-naphthalen-1-ylphenyl)-2-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-[2-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-[4-[2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 159815406
4-(3-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477404
5-(2-methoxy-3-pyridinyl)isoquinoline
CID 102599406
3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine
CID 142525776
2-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477455

Frequently Asked Questions

What is the IUPAC name of (2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of (2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (CID 159027905) is (2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for (2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is COc1cncc(-c2cccc3c2C[C@@]2(C3)N=C(N)O[C@@H]2C)n1.C[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cccc4cnccc34)c1C2.C[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cccnc3)c1C2.C[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cncc4ccccc34)c1C2.C[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3cnccn3)c1C2.Cc1cnc(-c2cccc3c2C[C@@]2(C3)N=C(N)O[C@@H]2C)cn1.Cc1nccnc1-c1cccc2c1C[C@@]1(C2)N=C(N)O[C@@H]1C.
What is the InChIKey of (2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is JUMVSXXYJDSGPD-VXGMZOIDSA-N. The full InChI is InChI=1S/2C21H19N3O.C17H18N4O2.2C17H18N4O.C17H17N3O.C16H16N4O/c1-13-21(24-20(22)25-13)10-14-4-2-7-18(19(14)11-21)17-6-3-5-15-12-23-9-8-16(15)17;1-13-21(24-20(22)25-13)9-14-6-4-8-17(18(14)10-21)19-12-23-11-15-5-2-3-7-16(15)19;1-10-17(21-16(18)23-10)6-11-4-3-5-12(13(11)7-17)14-8-19-9-15(20-14)22-2;1-10-8-20-15(9-19-10)13-5-3-4-12-6-17(7-14(12)13)11(2)22-16(18)21-17;1-10-15(20-7-6-19-10)13-5-3-4-12-8-17(9-14(12)13)11(2)22-16(18)21-17;1-11-17(20-16(18)21-11)8-12-4-2-6-14(15(12)9-17)13-5-3-7-19-10-13;1-10-16(20-15(17)21-10)7-11-3-2-4-12(13(11)8-16)14-9-18-5-6-19-14/h2-9,12-13H,10-11H2,1H3,(H2,22,24);2-8,11-13H,9-10H2,1H3,(H2,22,24);3-5,8-10H,6-7H2,1-2H3,(H2,18,21);3-5,8-9,11H,6-7H2,1-2H3,(H2,18,21);3-7,11H,8-9H2,1-2H3,(H2,18,21);2-7,10-11H,8-9H2,1H3,(H2,18,20);2-6,9-10H,7-8H2,1H3,(H2,17,20)/t2*13-,21-;10-,17-;3*11-,17-;10-,16-/m1111111/s1.
What are the key properties of (2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
(2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 2117.55 g/mol, XLogP of 16.75, 8 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5'R)-4-isoquinolin-4-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-isoquinolin-5-yl-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-4-(6-methoxypyrazin-2-yl)-5'-methylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(3-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-(5-methylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyrazin-2-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine;(2R,5'R)-5'-methyl-4-pyridin-3-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 159027905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).