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

C20H16N2O2 — CID 101408198

IUPAC(3aR,8bS)-2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESc1ccc2c(c1)C[C@H]1OC(C3=N[C@H]4c5ccccc5C[C@H]4O3)=N[C@@H]21
InChIInChI=1S/C20H16N2O2/c1-3-7-13-11(5-1)9-15-17(13)21-19(23-15)20-22-18-14-8-4-2-6-12(14)10-16(18)24-20/h1-8,15-18H,9-10H2/t15-,16-,17+,18+/m1/s1
InChIKeySBYJTMJEUZSVQN-BDXSIMOUSA-N
MW316.36 g/mol
LogP3.18
Rot. Bonds1

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

(3aR,8bS)-2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (PubChem CID 101408198) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (3aR,8bS)-2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name(3aR,8bS)-2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
PubChem CID101408198
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name(3aR,8bS)-2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESc1ccc2c(c1)C[C@H]1OC(C3=N[C@H]4c5ccccc5C[C@H]4O3)=N[C@@H]21
InChIInChI=1S/C20H16N2O2/c1-3-7-13-11(5-1)9-15-17(13)21-19(23-15)20-22-18-14-8-4-2-6-12(14)10-16(18)24-20/h1-8,15-18H,9-10H2/t15-,16-,17+,18+/m1/s1
InChIKeySBYJTMJEUZSVQN-BDXSIMOUSA-N
XLogP3.18
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,8bS)-2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-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-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The IUPAC name of (3aR,8bS)-2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (CID 101408198) is (3aR,8bS)-2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.
What is the SMILES notation for (3aR,8bS)-2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The canonical SMILES for (3aR,8bS)-2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is c1ccc2c(c1)C[C@H]1OC(C3=N[C@H]4c5ccccc5C[C@H]4O3)=N[C@@H]21.
What is the InChIKey of (3aR,8bS)-2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The InChIKey is SBYJTMJEUZSVQN-BDXSIMOUSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-3-7-13-11(5-1)9-15-17(13)21-19(23-15)20-22-18-14-8-4-2-6-12(14)10-16(18)24-20/h1-8,15-18H,9-10H2/t15-,16-,17+,18+/m1/s1.
What are the key properties of (3aR,8bS)-2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
(3aR,8bS)-2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole has a molecular weight of 316.36 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is sourced from PubChem (CID 101408198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).