(5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

C108H112N14O5 — CID 157406931

IUPAC(5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCC1=NC[C@]2(CCc3c(cccc3-c3ccco3)C2)N1.CC1=N[C@@]2(CCc3cccc(-c4cccnc4)c3C2)CO1.CC1=N[C@@]2(CCc3cccc(-c4cnccc4C)c3C2)CO1.CC1=N[C@]2(CC1)CCc1c(cccc1-c1cncnc1)C2.CC1=N[C@]2(CCc3cccc(-c4cnccc4C)c3C2)CO1.CC1=N[C@]2(CCc3cccc(-c4cncnc4)c3C2)CO1
InChIInChI=1S/2C19H20N2O.C18H19N3.C18H18N2O.C17H17N3O.C17H18N2O/c2*1-13-7-9-20-11-18(13)16-5-3-4-15-6-8-19(10-17(15)16)12-22-14(2)21-19;1-13-5-7-18(21-13)8-6-17-14(9-18)3-2-4-16(17)15-10-19-12-20-11-15;1-13-20-18(12-21-13)8-7-14-4-2-6-16(17(14)10-18)15-5-3-9-19-11-15;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;1-12-18-11-17(19-12)8-7-14-13(10-17)4-2-5-15(14)16-6-3-9-20-16/h2*3-5,7,9,11H,6,8,10,12H2,1-2H3;2-4,10-12H,5-9H2,1H3;2-6,9,11H,7-8,10,12H2,1H3;2-4,8-9,11H,5-7,10H2,1H3;2-6,9H,7-8,10-11H2,1H3,(H,18,19)/t2*19-;2*18-;2*17-/m101101/s1
InChIKeyBNVCZKKFJSBEOJ-XCRDZGFRSA-N
MW1686.18 g/mol
LogP20.53
Rot. Bonds6

About (5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

(5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (PubChem CID 157406931) has the molecular formula C108H112N14O5 and a molecular weight of 1686.18 g/mol. Its IUPAC name is (5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].

Molecular Properties

Compound Name(5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
PubChem CID157406931
Molecular FormulaC108H112N14O5
Molecular Weight1686.18 g/mol
Exact Mass1684.89
IUPAC Name(5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCC1=NC[C@]2(CCc3c(cccc3-c3ccco3)C2)N1.CC1=N[C@@]2(CCc3cccc(-c4cccnc4)c3C2)CO1.CC1=N[C@@]2(CCc3cccc(-c4cnccc4C)c3C2)CO1.CC1=N[C@]2(CC1)CCc1c(cccc1-c1cncnc1)C2.CC1=N[C@]2(CCc3cccc(-c4cnccc4C)c3C2)CO1.CC1=N[C@]2(CCc3cccc(-c4cncnc4)c3C2)CO1
InChIInChI=1S/2C19H20N2O.C18H19N3.C18H18N2O.C17H17N3O.C17H18N2O/c2*1-13-7-9-20-11-18(13)16-5-3-4-15-6-8-19(10-17(15)16)12-22-14(2)21-19;1-13-5-7-18(21-13)8-6-17-14(9-18)3-2-4-16(17)15-10-19-12-20-11-15;1-13-20-18(12-21-13)8-7-14-4-2-6-16(17(14)10-18)15-5-3-9-19-11-15;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;1-12-18-11-17(19-12)8-7-14-13(10-17)4-2-5-15(14)16-6-3-9-20-16/h2*3-5,7,9,11H,6,8,10,12H2,1-2H3;2-4,10-12H,5-9H2,1H3;2-6,9,11H,7-8,10,12H2,1H3;2-4,8-9,11H,5-7,10H2,1H3;2-6,9H,7-8,10-11H2,1H3,(H,18,19)/t2*19-;2*18-;2*17-/m101101/s1
InChIKeyBNVCZKKFJSBEOJ-XCRDZGFRSA-N
XLogP20.53
TPSA226.48 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds6
Heavy Atoms127
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001686.18
LogP ≤ 520.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze (5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-2'-methyl-5-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 (5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The IUPAC name of (5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (CID 157406931) is (5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].
What is the SMILES notation for (5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The canonical SMILES for (5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is CC1=NC[C@]2(CCc3c(cccc3-c3ccco3)C2)N1.CC1=N[C@@]2(CCc3cccc(-c4cccnc4)c3C2)CO1.CC1=N[C@@]2(CCc3cccc(-c4cnccc4C)c3C2)CO1.CC1=N[C@]2(CC1)CCc1c(cccc1-c1cncnc1)C2.CC1=N[C@]2(CCc3cccc(-c4cnccc4C)c3C2)CO1.CC1=N[C@]2(CCc3cccc(-c4cncnc4)c3C2)CO1.
What is the InChIKey of (5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The InChIKey is BNVCZKKFJSBEOJ-XCRDZGFRSA-N. The full InChI is InChI=1S/2C19H20N2O.C18H19N3.C18H18N2O.C17H17N3O.C17H18N2O/c2*1-13-7-9-20-11-18(13)16-5-3-4-15-6-8-19(10-17(15)16)12-22-14(2)21-19;1-13-5-7-18(21-13)8-6-17-14(9-18)3-2-4-16(17)15-10-19-12-20-11-15;1-13-20-18(12-21-13)8-7-14-4-2-6-16(17(14)10-18)15-5-3-9-19-11-15;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;1-12-18-11-17(19-12)8-7-14-13(10-17)4-2-5-15(14)16-6-3-9-20-16/h2*3-5,7,9,11H,6,8,10,12H2,1-2H3;2-4,10-12H,5-9H2,1H3;2-6,9,11H,7-8,10,12H2,1H3;2-4,8-9,11H,5-7,10H2,1H3;2-6,9H,7-8,10-11H2,1H3,(H,18,19)/t2*19-;2*18-;2*17-/m101101/s1.
What are the key properties of (5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
(5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] has a molecular weight of 1686.18 g/mol, XLogP of 20.53, 6 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-8'-(furan-2-yl)-2-methylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3R)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-5-(4-methyl-3-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3R)-2'-methyl-5-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3S)-2'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is sourced from PubChem (CID 157406931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).