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

C25H24N2O2 — CID 15309103

IUPAC(3aR,8bS)-2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopentyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESc1ccc2c(c1)C[C@H]1OC(C3(C4=N[C@H]5c6ccccc6C[C@H]5O4)CCCC3)=N[C@@H]21
InChIInChI=1S/C25H24N2O2/c1-3-9-17-15(7-1)13-19-21(17)26-23(28-19)25(11-5-6-12-25)24-27-22-18-10-4-2-8-16(18)14-20(22)29-24/h1-4,7-10,19-22H,5-6,11-14H2/t19-,20-,21+,22+/m1/s1
InChIKeyIUZHBHBWSAWDRX-CZYKHXBRSA-N
MW384.48 g/mol
LogP4.74
Rot. Bonds2

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

(3aR,8bS)-2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopentyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (PubChem CID 15309103) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (3aR,8bS)-2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopentyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name(3aR,8bS)-2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopentyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
PubChem CID15309103
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(3aR,8bS)-2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopentyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESc1ccc2c(c1)C[C@H]1OC(C3(C4=N[C@H]5c6ccccc6C[C@H]5O4)CCCC3)=N[C@@H]21
InChIInChI=1S/C25H24N2O2/c1-3-9-17-15(7-1)13-19-21(17)26-23(28-19)25(11-5-6-12-25)24-27-22-18-10-4-2-8-16(18)14-20(22)29-24/h1-4,7-10,19-22H,5-6,11-14H2/t19-,20-,21+,22+/m1/s1
InChIKeyIUZHBHBWSAWDRX-CZYKHXBRSA-N
XLogP4.74
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,8bS)-2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopentyl]-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-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopentyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The IUPAC name of (3aR,8bS)-2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopentyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (CID 15309103) is (3aR,8bS)-2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopentyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.
What is the SMILES notation for (3aR,8bS)-2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopentyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The canonical SMILES for (3aR,8bS)-2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopentyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is c1ccc2c(c1)C[C@H]1OC(C3(C4=N[C@H]5c6ccccc6C[C@H]5O4)CCCC3)=N[C@@H]21.
What is the InChIKey of (3aR,8bS)-2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopentyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The InChIKey is IUZHBHBWSAWDRX-CZYKHXBRSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-3-9-17-15(7-1)13-19-21(17)26-23(28-19)25(11-5-6-12-25)24-27-22-18-10-4-2-8-16(18)14-20(22)29-24/h1-4,7-10,19-22H,5-6,11-14H2/t19-,20-,21+,22+/m1/s1.
What are the key properties of (3aR,8bS)-2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopentyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
(3aR,8bS)-2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopentyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole has a molecular weight of 384.48 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopentyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is sourced from PubChem (CID 15309103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).