(3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole

C26H28N2O3 — CID 59919109

IUPAC(3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole
SMILESCC1(C)c2ccccc2[C@H]2OC(COCC3=N[C@H]4[C@@H](O3)c3ccccc3C4(C)C)=N[C@H]21
InChIInChI=1S/C26H28N2O3/c1-25(2)17-11-7-5-9-15(17)21-23(25)27-19(30-21)13-29-14-20-28-24-22(31-20)16-10-6-8-12-18(16)26(24,3)4/h5-12,21-24H,13-14H2,1-4H3/t21-,22+,23-,24+
InChIKeyQVRKPCBGYSTURL-WAPCQROESA-N
MW416.52 g/mol
LogP4.66
Rot. Bonds4

About (3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole

(3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole (PubChem CID 59919109) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is (3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole.

Molecular Properties

Compound Name(3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole
PubChem CID59919109
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name(3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole
SMILESCC1(C)c2ccccc2[C@H]2OC(COCC3=N[C@H]4[C@@H](O3)c3ccccc3C4(C)C)=N[C@H]21
InChIInChI=1S/C26H28N2O3/c1-25(2)17-11-7-5-9-15(17)21-23(25)27-19(30-21)13-29-14-20-28-24-22(31-20)16-10-6-8-12-18(16)26(24,3)4/h5-12,21-24H,13-14H2,1-4H3/t21-,22+,23-,24+
InChIKeyQVRKPCBGYSTURL-WAPCQROESA-N
XLogP4.66
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole?
The IUPAC name of (3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole (CID 59919109) is (3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole.
What is the SMILES notation for (3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole?
The canonical SMILES for (3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole is CC1(C)c2ccccc2[C@H]2OC(COCC3=N[C@H]4[C@@H](O3)c3ccccc3C4(C)C)=N[C@H]21.
What is the InChIKey of (3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole?
The InChIKey is QVRKPCBGYSTURL-WAPCQROESA-N. The full InChI is InChI=1S/C26H28N2O3/c1-25(2)17-11-7-5-9-15(17)21-23(25)27-19(30-21)13-29-14-20-28-24-22(31-20)16-10-6-8-12-18(16)26(24,3)4/h5-12,21-24H,13-14H2,1-4H3/t21-,22+,23-,24+.
What are the key properties of (3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole?
(3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole has a molecular weight of 416.52 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-2-[[(3aR,8bS)-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazol-2-yl]methoxymethyl]-4,4-dimethyl-3a,8b-dihydroindeno[2,1-d][1,3]oxazole is sourced from PubChem (CID 59919109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).