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];(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

C76H72N12O6S2 — CID 159930055

IUPAC2'-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];(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
InChIInChI=1S/C21H19N5O.C21H19NOS2.2C17H17N3O2/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*1-11-20-17(9-22-11)5-4-14-13(12-7-18-10-19-8-12)2-3-16(21)15(14)6-17/h2-3,7-10,12-13H,4-6,11H2,1H3;2-3,5-6,8-9,11-12H,4,7,10,13H2,1H3;2*2-3,7-8,10,21H,4-6,9H2,1H3/t;;2*17-/m..10/s1
InChIKeyNZNGXJVYNXKYPT-OTQKMVSJSA-N
MW1313.62 g/mol
LogP14.15
Rot. Bonds6

About 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];(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

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];(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 159930055) has the molecular formula C76H72N12O6S2 and a molecular weight of 1313.62 g/mol. Its IUPAC name is 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];(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 Name2'-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];(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 CID159930055
Molecular FormulaC76H72N12O6S2
Molecular Weight1313.62 g/mol
Exact Mass1312.51
IUPAC Name2'-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];(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
InChIInChI=1S/C21H19N5O.C21H19NOS2.2C17H17N3O2/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*1-11-20-17(9-22-11)5-4-14-13(12-7-18-10-19-8-12)2-3-16(21)15(14)6-17/h2-3,7-10,12-13H,4-6,11H2,1H3;2-3,5-6,8-9,11-12H,4,7,10,13H2,1H3;2*2-3,7-8,10,21H,4-6,9H2,1H3/t;;2*17-/m..10/s1
InChIKeyNZNGXJVYNXKYPT-OTQKMVSJSA-N
XLogP14.15
TPSA229.94 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds6
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001313.62
LogP ≤ 514.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 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];(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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Related Compounds

CID 158194403
CID 158194403
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
(4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(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]
CID 158717152
(4R)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(4S)-5,5-dideuterio-2-methyl-5'-pyrimidin-5-ylspiro[1,3-oxazole-4,3'-2,4-dihydro-1H-naphthalene];(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];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];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-7-(1,3,5-trimethylpyrazol-4-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 160649497
2'-ethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];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 161337420
5-methoxy-2',5'-dimethyl-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];(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 161760992

Frequently Asked Questions

What is the IUPAC name of 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];(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 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];(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 159930055) is 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];(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 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];(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 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];(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.
What is the InChIKey of 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];(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 NZNGXJVYNXKYPT-OTQKMVSJSA-N. The full InChI is InChI=1S/C21H19N5O.C21H19NOS2.2C17H17N3O2/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*1-11-20-17(9-22-11)5-4-14-13(12-7-18-10-19-8-12)2-3-16(21)15(14)6-17/h2-3,7-10,12-13H,4-6,11H2,1H3;2-3,5-6,8-9,11-12H,4,7,10,13H2,1H3;2*2-3,7-8,10,21H,4-6,9H2,1H3/t;;2*17-/m..10/s1.
What are the key properties of 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];(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?
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];(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 1313.62 g/mol, XLogP of 14.15, 6 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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];(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 159930055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).