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]

C88H93N11O7S2 — CID 158428867

About 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]

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] (PubChem CID 158428867) has the molecular formula C88H93N11O7S2 and a molecular weight of 1480.92 g/mol. Its IUPAC name is 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].

Molecular Properties

• Compound Name: 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]
• PubChem CID: 158428867
• Molecular Formula: C88H93N11O7S2
• Molecular Weight: 1480.92 g/mol
• Exact Mass: 1479.67
• IUPAC Name: 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]
• SMILES: C.CC1=NC2(CCc3c(-c4cncnc4)ccc(O)c3C2)CO1.CC1=N[C@@]2(CCc3c(cccc3-c3ccsc3)C2)CO1.CC1=N[C@]2(CCc3c(cccc3-c3ccsc3)C2)CO1.CCC1=NC2(CCc3c(cccc3-c3cncnc3)C2)CO1.COc1ccc(-c2cncnc2)c2c1CC1(CC2)COC(C)=N1
• InChI: InChI=1S/C18H19N3O2.C18H19N3O.C17H17N3O2.2C17H17NOS.CH4/c1-12-21-18(10-23-12)6-5-15-14(13-8-19-11-20-9-13)3-4-17(22-2)16(15)7-18;1-2-17-21-18(11-22-17)7-6-16-13(8-18)4-3-5-15(16)14-9-19-12-20-10-14;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;2*1-12-18-17(11-19-12)7-5-16-13(9-17)3-2-4-15(16)14-6-8-20-10-14;/h3-4,8-9,11H,5-7,10H2,1-2H3;3-5,9-10,12H,2,6-8,11H2,1H3;2-3,7-8,10,21H,4-6,9H2,1H3;2*2-4,6,8,10H,5,7,9,11H2,1H3;1H4/t;;;2*17-;/m...10./s1
• InChIKey: HBKCUXVSWOHVAA-AOAYPEHJSA-N
• XLogP: 17.38
• TPSA: 214.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1480.92
LogP ≤ 5	17.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 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]?

The IUPAC name of 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) is 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].

What is the SMILES notation for 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]?

The canonical SMILES for 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] is C.CC1=NC2(CCc3c(-c4cncnc4)ccc(O)c3C2)CO1.CC1=N[C@@]2(CCc3c(cccc3-c3ccsc3)C2)CO1.CC1=N[C@]2(CCc3c(cccc3-c3ccsc3)C2)CO1.CCC1=NC2(CCc3c(cccc3-c3cncnc3)C2)CO1.COc1ccc(-c2cncnc2)c2c1CC1(CC2)COC(C)=N1.

What is the InChIKey of 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]?

The InChIKey is HBKCUXVSWOHVAA-AOAYPEHJSA-N. The full InChI is InChI=1S/C18H19N3O2.C18H19N3O.C17H17N3O2.2C17H17NOS.CH4/c1-12-21-18(10-23-12)6-5-15-14(13-8-19-11-20-9-13)3-4-17(22-2)16(15)7-18;1-2-17-21-18(11-22-17)7-6-16-13(8-18)4-3-5-15(16)14-9-19-12-20-10-14;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;2*1-12-18-17(11-19-12)7-5-16-13(9-17)3-2-4-15(16)14-6-8-20-10-14;/h3-4,8-9,11H,5-7,10H2,1-2H3;3-5,9-10,12H,2,6-8,11H2,1H3;2-3,7-8,10,21H,4-6,9H2,1H3;2*2-4,6,8,10H,5,7,9,11H2,1H3;1H4/t;;;2*17-;/m...10./s1.

What are the key properties of 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]?

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] has a molecular weight of 1480.92 g/mol, XLogP of 17.38, 7 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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] is sourced from PubChem (CID 158428867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).