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]

C108H124N18O8 — CID 158597587

IUPAC8-(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]
SMILESC.C.C.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(CCc3cccc(-c4cnccn4)c3C2)CO1.CNc1ncncc1-c1ccc2c(c1)CC1(CC2)COC(C)=N1.COc1cncc(-c2cccc3c2CC2(CC3)COC(C)=N2)n1
InChIInChI=1S/C18H20N4O.C18H19N3O2.C18H20N2O2.C17H19N3O.2C17H17N3O.3CH4/c1-12-22-18(10-23-12)6-5-13-3-4-14(7-15(13)8-18)16-9-20-11-21-17(16)19-2;1-12-21-18(11-23-12)7-6-13-4-3-5-14(15(13)8-18)16-9-19-10-17(20-16)22-2;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;1-12-19-17(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)6-5-16-13(7-17)3-2-4-15(16)14-8-18-11-19-9-14;1-12-20-17(11-21-12)6-5-13-3-2-4-14(15(13)9-17)16-10-18-7-8-19-16;;;/h3-4,7,9,11H,5-6,8,10H2,1-2H3,(H,19,20,21);3-5,9-10H,6-8,11H2,1-2H3;4-6H,7-10H2,1-3H3;3-5,7,9H,6,8,10-11H2,1-2H3;2-4,8-9,11H,5-7,10H2,1H3;2-4,7-8,10H,5-6,9,11H2,1H3;3*1H4
InChIKeyHVFOWBKEJXIUHG-UHFFFAOYSA-N
MW1802.30 g/mol
LogP19.64
Rot. Bonds8

About 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]

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] (PubChem CID 158597587) has the molecular formula C108H124N18O8 and a molecular weight of 1802.30 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name8-(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]
PubChem CID158597587
Molecular FormulaC108H124N18O8
Molecular Weight1802.30 g/mol
Exact Mass1800.98
IUPAC Name8-(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]
SMILESC.C.C.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(CCc3cccc(-c4cnccn4)c3C2)CO1.CNc1ncncc1-c1ccc2c(c1)CC1(CC2)COC(C)=N1.COc1cncc(-c2cccc3c2CC2(CC3)COC(C)=N2)n1
InChIInChI=1S/C18H20N4O.C18H19N3O2.C18H20N2O2.C17H19N3O.2C17H17N3O.3CH4/c1-12-22-18(10-23-12)6-5-13-3-4-14(7-15(13)8-18)16-9-20-11-21-17(16)19-2;1-12-21-18(11-23-12)7-6-13-4-3-5-14(15(13)8-18)16-9-19-10-17(20-16)22-2;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;1-12-19-17(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)6-5-16-13(7-17)3-2-4-15(16)14-8-18-11-19-9-14;1-12-20-17(11-21-12)6-5-13-3-2-4-14(15(13)9-17)16-10-18-7-8-19-16;;;/h3-4,7,9,11H,5-6,8,10H2,1-2H3,(H,19,20,21);3-5,9-10H,6-8,11H2,1-2H3;4-6H,7-10H2,1-3H3;3-5,7,9H,6,8,10-11H2,1-2H3;2-4,8-9,11H,5-7,10H2,1H3;2-4,7-8,10H,5-6,9,11H2,1H3;3*1H4
InChIKeyHVFOWBKEJXIUHG-UHFFFAOYSA-N
XLogP19.64
TPSA297.77 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds8
Heavy Atoms134
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001802.30
LogP ≤ 519.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 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] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is C.C.C.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(CCc3cccc(-c4cnccn4)c3C2)CO1.CNc1ncncc1-c1ccc2c(c1)CC1(CC2)COC(C)=N1.COc1cncc(-c2cccc3c2CC2(CC3)COC(C)=N2)n1.
What is the InChIKey of 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]?
The InChIKey is HVFOWBKEJXIUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O.C18H19N3O2.C18H20N2O2.C17H19N3O.2C17H17N3O.3CH4/c1-12-22-18(10-23-12)6-5-13-3-4-14(7-15(13)8-18)16-9-20-11-21-17(16)19-2;1-12-21-18(11-23-12)7-6-13-4-3-5-14(15(13)8-18)16-9-19-10-17(20-16)22-2;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;1-12-19-17(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)6-5-16-13(7-17)3-2-4-15(16)14-8-18-11-19-9-14;1-12-20-17(11-21-12)6-5-13-3-2-4-14(15(13)9-17)16-10-18-7-8-19-16;;;/h3-4,7,9,11H,5-6,8,10H2,1-2H3,(H,19,20,21);3-5,9-10H,6-8,11H2,1-2H3;4-6H,7-10H2,1-3H3;3-5,7,9H,6,8,10-11H2,1-2H3;2-4,8-9,11H,5-7,10H2,1H3;2-4,7-8,10H,5-6,9,11H2,1H3;3*1H4.
What are the key properties of 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]?
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] has a molecular weight of 1802.30 g/mol, XLogP of 19.64, 8 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 158597587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).