(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

C25H26N2O2 — CID 102065765

IUPAC(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
SMILESCC(C)(C1=N[C@H]2c3ccccc3CC[C@H]2O1)C1=N[C@H]2c3ccccc3CC[C@H]2O1
InChIInChI=1S/C25H26N2O2/c1-25(2,23-26-21-17-9-5-3-7-15(17)11-13-19(21)28-23)24-27-22-18-10-6-4-8-16(18)12-14-20(22)29-24/h3-10,19-22H,11-14H2,1-2H3/t19-,20-,21+,22+/m1/s1
InChIKeyZHWGJYXVGIGWHM-CZYKHXBRSA-N
MW386.49 g/mol
LogP4.98
Rot. Bonds2

About (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

(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 (PubChem CID 102065765) has the molecular formula C25H26N2O2 and a molecular weight of 386.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID102065765
Molecular FormulaC25H26N2O2
Molecular Weight386.49 g/mol
Exact Mass386.20
IUPAC Name(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
SMILESCC(C)(C1=N[C@H]2c3ccccc3CC[C@H]2O1)C1=N[C@H]2c3ccccc3CC[C@H]2O1
InChIInChI=1S/C25H26N2O2/c1-25(2,23-26-21-17-9-5-3-7-15(17)11-13-19(21)28-23)24-27-22-18-10-6-4-8-16(18)12-14-20(22)29-24/h3-10,19-22H,11-14H2,1-2H3/t19-,20-,21+,22+/m1/s1
InChIKeyZHWGJYXVGIGWHM-CZYKHXBRSA-N
XLogP4.98
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

(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
2-(trichloromethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 164678493
(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
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
(4S)-2-[2-[(4S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101210417
(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
(4S,5R)-5-methyl-2-[2-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10546604
benzyl 3,3-bis[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]butanoate
CID 166447309
(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
2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate
CID 10262840

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C1=N[C@H]2c3ccccc3CC[C@H]2O1)C1=N[C@H]2c3ccccc3CC[C@H]2O1.
What is the InChIKey of (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?
The InChIKey is ZHWGJYXVGIGWHM-CZYKHXBRSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-25(2,23-26-21-17-9-5-3-7-15(17)11-13-19(21)28-23)24-27-22-18-10-6-4-8-16(18)12-14-20(22)29-24/h3-10,19-22H,11-14H2,1-2H3/t19-,20-,21+,22+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 386.49 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 102065765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).