(3aS)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-2-pyridinyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

C25H19N3O2 — CID 134948296

IUPAC(3aS)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-2-pyridinyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESc1cc(C2=NC3c4ccccc4C[C@@H]3O2)nc(C2=N[C@@H]3c4ccccc4C[C@@H]3O2)c1
InChIInChI=1S/C25H19N3O2/c1-3-8-16-14(6-1)12-20-22(16)27-24(29-20)18-10-5-11-19(26-18)25-28-23-17-9-4-2-7-15(17)13-21(23)30-25/h1-11,20-23H,12-13H2/t20-,21-,22+,23?/m0/s1
InChIKeyBZSJUFJXCHHRHW-JYEDNEFCSA-N
MW393.45 g/mol
LogP3.97
Rot. Bonds2

About (3aS)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-2-pyridinyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

(3aS)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-2-pyridinyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (PubChem CID 134948296) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is (3aS)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-2-pyridinyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name(3aS)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-2-pyridinyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
PubChem CID134948296
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name(3aS)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-2-pyridinyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESc1cc(C2=NC3c4ccccc4C[C@@H]3O2)nc(C2=N[C@@H]3c4ccccc4C[C@@H]3O2)c1
InChIInChI=1S/C25H19N3O2/c1-3-8-16-14(6-1)12-20-22(16)27-24(29-20)18-10-5-11-19(26-18)25-28-23-17-9-4-2-7-15(17)13-21(23)30-25/h1-11,20-23H,12-13H2/t20-,21-,22+,23?/m0/s1
InChIKeyBZSJUFJXCHHRHW-JYEDNEFCSA-N
XLogP3.97
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aS)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-2-pyridinyl]-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 (3aS)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-2-pyridinyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The IUPAC name of (3aS)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-2-pyridinyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (CID 134948296) is (3aS)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-2-pyridinyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.
What is the SMILES notation for (3aS)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-2-pyridinyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The canonical SMILES for (3aS)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-2-pyridinyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is c1cc(C2=NC3c4ccccc4C[C@@H]3O2)nc(C2=N[C@@H]3c4ccccc4C[C@@H]3O2)c1.
What is the InChIKey of (3aS)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-2-pyridinyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The InChIKey is BZSJUFJXCHHRHW-JYEDNEFCSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-3-8-16-14(6-1)12-20-22(16)27-24(29-20)18-10-5-11-19(26-18)25-28-23-17-9-4-2-7-15(17)13-21(23)30-25/h1-11,20-23H,12-13H2/t20-,21-,22+,23?/m0/s1.
What are the key properties of (3aS)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-2-pyridinyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
(3aS)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-2-pyridinyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole has a molecular weight of 393.45 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-2-pyridinyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is sourced from PubChem (CID 134948296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).