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

C33H29N3O3 — CID 53235750

IUPAC(3aS,8bR)-2-[1,2-bis[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESCC(CC1=N[C@@H]2c3ccccc3C[C@@H]2O1)(C1=N[C@@H]2c3ccccc3C[C@@H]2O1)C1=N[C@@H]2c3ccccc3C[C@@H]2O1
InChIInChI=1S/C33H29N3O3/c1-33(31-35-29-22-12-6-3-9-19(22)15-25(29)38-31,32-36-30-23-13-7-4-10-20(23)16-26(30)39-32)17-27-34-28-21-11-5-2-8-18(21)14-24(28)37-27/h2-13,24-26,28-30H,14-17H2,1H3/t24-,25-,26-,28+,29+,30+/m0/s1
InChIKeyYLOSTUMAQZEZMP-DTWWJVOBSA-N
MW515.61 g/mol
LogP5.67
Rot. Bonds4

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

(3aS,8bR)-2-[1,2-bis[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (PubChem CID 53235750) has the molecular formula C33H29N3O3 and a molecular weight of 515.61 g/mol. Its IUPAC name is (3aS,8bR)-2-[1,2-bis[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name(3aS,8bR)-2-[1,2-bis[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
PubChem CID53235750
Molecular FormulaC33H29N3O3
Molecular Weight515.61 g/mol
Exact Mass515.22
IUPAC Name(3aS,8bR)-2-[1,2-bis[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESCC(CC1=N[C@@H]2c3ccccc3C[C@@H]2O1)(C1=N[C@@H]2c3ccccc3C[C@@H]2O1)C1=N[C@@H]2c3ccccc3C[C@@H]2O1
InChIInChI=1S/C33H29N3O3/c1-33(31-35-29-22-12-6-3-9-19(22)15-25(29)38-31,32-36-30-23-13-7-4-10-20(23)16-26(30)39-32)17-27-34-28-21-11-5-2-8-18(21)14-24(28)37-27/h2-13,24-26,28-30H,14-17H2,1H3/t24-,25-,26-,28+,29+,30+/m0/s1
InChIKeyYLOSTUMAQZEZMP-DTWWJVOBSA-N
XLogP5.67
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aS,8bR)-2-[1,2-bis[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole with MolForge

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Related Compounds

(3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-1-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;nickel(2+);oxolane;diperchlorate
CID 139121160
2-(trichloromethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 164678493
2-[2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 78165333
benzyl 3,3-bis[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]butanoate
CID 166447309
2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]acetonitrile
CID 15782541
(3aR,8bS)-2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 101449852
(3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-1,3-bis(2,4-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 164887231
(3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-1-(3-tert-butyl-5-methylphenyl)-3-(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 165044200
[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]methyl-[[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]methyl]-phenylphosphane
CID 59919118
(3aR,9bS)-2-[2-[(3aR,9bS)-3a,4,5,9b-tetrahydrobenzo[e][1,3]benzoxazol-2-yl]propan-2-yl]-3a,4,5,9b-tetrahydrobenzo[e][1,3]benzoxazole
CID 102065765
(3aS,8bR)-2-bromo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 24767136
(3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 10949221

Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-2-[1,2-bis[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The IUPAC name of (3aS,8bR)-2-[1,2-bis[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (CID 53235750) is (3aS,8bR)-2-[1,2-bis[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.
What is the SMILES notation for (3aS,8bR)-2-[1,2-bis[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The canonical SMILES for (3aS,8bR)-2-[1,2-bis[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is CC(CC1=N[C@@H]2c3ccccc3C[C@@H]2O1)(C1=N[C@@H]2c3ccccc3C[C@@H]2O1)C1=N[C@@H]2c3ccccc3C[C@@H]2O1.
What is the InChIKey of (3aS,8bR)-2-[1,2-bis[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The InChIKey is YLOSTUMAQZEZMP-DTWWJVOBSA-N. The full InChI is InChI=1S/C33H29N3O3/c1-33(31-35-29-22-12-6-3-9-19(22)15-25(29)38-31,32-36-30-23-13-7-4-10-20(23)16-26(30)39-32)17-27-34-28-21-11-5-2-8-18(21)14-24(28)37-27/h2-13,24-26,28-30H,14-17H2,1H3/t24-,25-,26-,28+,29+,30+/m0/s1.
What are the key properties of (3aS,8bR)-2-[1,2-bis[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
(3aS,8bR)-2-[1,2-bis[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole has a molecular weight of 515.61 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-2-[1,2-bis[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is sourced from PubChem (CID 53235750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).