(3aR,8bS)-2-[3-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

C25H26N2O2 — CID 154704579

IUPAC(3aR,8bS)-2-[3-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESCCC(CC)(C1=N[C@H]2c3ccccc3C[C@H]2O1)C1=N[C@H]2c3ccccc3C[C@H]2O1
InChIInChI=1S/C25H26N2O2/c1-3-25(4-2,23-26-21-17-11-7-5-9-15(17)13-19(21)28-23)24-27-22-18-12-8-6-10-16(18)14-20(22)29-24/h5-12,19-22H,3-4,13-14H2,1-2H3/t19-,20-,21+,22+/m1/s1
InChIKeyOQLUHXFWGUDHNB-CZYKHXBRSA-N
MW386.49 g/mol
LogP4.98
Rot. Bonds4

About (3aR,8bS)-2-[3-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

(3aR,8bS)-2-[3-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (PubChem CID 154704579) has the molecular formula C25H26N2O2 and a molecular weight of 386.49 g/mol. Its IUPAC name is (3aR,8bS)-2-[3-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name(3aR,8bS)-2-[3-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
PubChem CID154704579
Molecular FormulaC25H26N2O2
Molecular Weight386.49 g/mol
Exact Mass386.20
IUPAC Name(3aR,8bS)-2-[3-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESCCC(CC)(C1=N[C@H]2c3ccccc3C[C@H]2O1)C1=N[C@H]2c3ccccc3C[C@H]2O1
InChIInChI=1S/C25H26N2O2/c1-3-25(4-2,23-26-21-17-11-7-5-9-15(17)13-19(21)28-23)24-27-22-18-12-8-6-10-16(18)14-20(22)29-24/h5-12,19-22H,3-4,13-14H2,1-2H3/t19-,20-,21+,22+/m1/s1
InChIKeyOQLUHXFWGUDHNB-CZYKHXBRSA-N
XLogP4.98
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,8bS)-2-[3-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-2-[3-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The IUPAC name of (3aR,8bS)-2-[3-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (CID 154704579) is (3aR,8bS)-2-[3-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.
What is the SMILES notation for (3aR,8bS)-2-[3-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The canonical SMILES for (3aR,8bS)-2-[3-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is CCC(CC)(C1=N[C@H]2c3ccccc3C[C@H]2O1)C1=N[C@H]2c3ccccc3C[C@H]2O1.
What is the InChIKey of (3aR,8bS)-2-[3-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The InChIKey is OQLUHXFWGUDHNB-CZYKHXBRSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-3-25(4-2,23-26-21-17-11-7-5-9-15(17)13-19(21)28-23)24-27-22-18-12-8-6-10-16(18)14-20(22)29-24/h5-12,19-22H,3-4,13-14H2,1-2H3/t19-,20-,21+,22+/m1/s1.
What are the key properties of (3aR,8bS)-2-[3-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
(3aR,8bS)-2-[3-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole has a molecular weight of 386.49 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-2-[3-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pentan-3-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is sourced from PubChem (CID 154704579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).