2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one

C26H30N2O8 — CID 134998183

IUPAC2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one
SMILESCC(=O)N1C(=O)ON([C@@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@@H]3OC(C)(C)O[C@@H]32)C1c1cccc2ccccc12
InChIInChI=1S/C26H30N2O8/c1-14(29)27-22(17-12-8-10-15-9-6-7-11-16(15)17)28(36-24(27)30)23-21-20(34-26(4,5)35-21)19(32-23)18-13-31-25(2,3)33-18/h6-12,18-23H,13H2,1-5H3/t18-,19-,20+,21+,22?,23-/m1/s1
InChIKeyZDGQBWMJBVSESG-WNEHBUNESA-N
MW498.53 g/mol
LogP3.45
Rot. Bonds3

About 2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one

2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one (PubChem CID 134998183) has the molecular formula C26H30N2O8 and a molecular weight of 498.53 g/mol. Its IUPAC name is 2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one
PubChem CID134998183
Molecular FormulaC26H30N2O8
Molecular Weight498.53 g/mol
Exact Mass498.20
IUPAC Name2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one
SMILESCC(=O)N1C(=O)ON([C@@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@@H]3OC(C)(C)O[C@@H]32)C1c1cccc2ccccc12
InChIInChI=1S/C26H30N2O8/c1-14(29)27-22(17-12-8-10-15-9-6-7-11-16(15)17)28(36-24(27)30)23-21-20(34-26(4,5)35-21)19(32-23)18-13-31-25(2,3)33-18/h6-12,18-23H,13H2,1-5H3/t18-,19-,20+,21+,22?,23-/m1/s1
InChIKeyZDGQBWMJBVSESG-WNEHBUNESA-N
XLogP3.45
TPSA96.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one (CID 134998183) is 2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one.
What is the SMILES notation for 2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one is CC(=O)N1C(=O)ON([C@@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@@H]3OC(C)(C)O[C@@H]32)C1c1cccc2ccccc12.
What is the InChIKey of 2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one?
The InChIKey is ZDGQBWMJBVSESG-WNEHBUNESA-N. The full InChI is InChI=1S/C26H30N2O8/c1-14(29)27-22(17-12-8-10-15-9-6-7-11-16(15)17)28(36-24(27)30)23-21-20(34-26(4,5)35-21)19(32-23)18-13-31-25(2,3)33-18/h6-12,18-23H,13H2,1-5H3/t18-,19-,20+,21+,22?,23-/m1/s1.
What are the key properties of 2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one?
2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one has a molecular weight of 498.53 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-acetyl-3-naphthalen-1-yl-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 134998183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).