(3aR,8bS)-2-[6-[(3aR,8bS)-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 10644286

IUPAC(3aR,8bS)-2-[6-[(3aR,8bS)-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=N[C@H]3c4ccccc4C[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+/m1/s1
InChIKeyBZSJUFJXCHHRHW-LUKWVAJMSA-N
MW393.45 g/mol
LogP3.97
Rot. Bonds2

About (3aR,8bS)-2-[6-[(3aR,8bS)-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

(3aR,8bS)-2-[6-[(3aR,8bS)-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 10644286) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is (3aR,8bS)-2-[6-[(3aR,8bS)-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(3aR,8bS)-2-[6-[(3aR,8bS)-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 CID10644286
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name(3aR,8bS)-2-[6-[(3aR,8bS)-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=N[C@H]3c4ccccc4C[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+/m1/s1
InChIKeyBZSJUFJXCHHRHW-LUKWVAJMSA-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 (3aR,8bS)-2-[6-[(3aR,8bS)-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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Related Compounds

2,6-Bis((3aR,8aS)-(+)-8H-indeno(1,2-d)oxazolin-2-yl)pyridine
CID 12170741
(R,R)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine
CID 2734679
2,6-Bis(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine
CID 3921300
(S,S)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine
CID 7010100
2,6-Bis((4S,5S)-4-methyl-5-phenyl-2-oxazolinyl)pyridine
CID 10834631
2,6-Bis[(4R,5R)-4-methyl-5-phenyl-2-oxazolinyl]pyridine
CID 11954762
2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine
CID 12177006
2,6-Bis((S)-4,5-dihydro-4-phenethyloxazol-2-yl)pyridine
CID 56958442
2,6-Bis((4S,5R)-4,5-dihydro-4,5-diphenyloxazol-2-yl)pyridine
CID 15471881
2,6-bis((S)-4-(4-fluorophenyl)-4,5-dihydrooxazol-2-yl)pyridine
CID 165437843
2,6-bis((R)-4-(2-(trifluoromethyl)phenyl)-4,5-dihydrooxazol-2-yl)pyridine
CID 165437850
2,6-bis((S)-5,5-dimethyl-4-phenyl-4,5-dihydrooxazol-2-yl)pyridine
CID 165437841

Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-2-[6-[(3aR,8bS)-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 (3aR,8bS)-2-[6-[(3aR,8bS)-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 10644286) is (3aR,8bS)-2-[6-[(3aR,8bS)-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 (3aR,8bS)-2-[6-[(3aR,8bS)-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 (3aR,8bS)-2-[6-[(3aR,8bS)-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=N[C@H]3c4ccccc4C[C@H]3O2)nc(C2=N[C@H]3c4ccccc4C[C@H]3O2)c1.
What is the InChIKey of (3aR,8bS)-2-[6-[(3aR,8bS)-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-LUKWVAJMSA-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+/m1/s1.
What are the key properties of (3aR,8bS)-2-[6-[(3aR,8bS)-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?
(3aR,8bS)-2-[6-[(3aR,8bS)-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 (3aR,8bS)-2-[6-[(3aR,8bS)-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 10644286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).