(3aR,3'aS,6S,6'R,6aS,6'aS)-1,1'-dibenzylspiro[3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazole-6,5'-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole]-6'-ol

C24H28N2O4 — CID 11338780

IUPAC(3aR,3'aS,6S,6'R,6aS,6'aS)-1,1'-dibenzylspiro[3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazole-6,5'-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole]-6'-ol
SMILESO[C@@H]1[C@@H]2[C@@H](CON2Cc2ccccc2)C[C@@]12OC[C@@H]1CON(Cc3ccccc3)[C@@H]12
InChIInChI=1S/C24H28N2O4/c27-23-21-19(15-29-25(21)12-17-7-3-1-4-8-17)11-24(23)22-20(14-28-24)16-30-26(22)13-18-9-5-2-6-10-18/h1-10,19-23,27H,11-16H2/t19-,20-,21+,22+,23-,24+/m1/s1
InChIKeyZHFBYNUDUZMJNB-VXAMWORUSA-N
MW408.50 g/mol
LogP2.38
Rot. Bonds4

About (3aR,3'aS,6S,6'R,6aS,6'aS)-1,1'-dibenzylspiro[3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazole-6,5'-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole]-6'-ol

(3aR,3'aS,6S,6'R,6aS,6'aS)-1,1'-dibenzylspiro[3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazole-6,5'-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole]-6'-ol (PubChem CID 11338780) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (3aR,3'aS,6S,6'R,6aS,6'aS)-1,1'-dibenzylspiro[3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazole-6,5'-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole]-6'-ol.

Molecular Properties

Compound Name(3aR,3'aS,6S,6'R,6aS,6'aS)-1,1'-dibenzylspiro[3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazole-6,5'-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole]-6'-ol
PubChem CID11338780
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(3aR,3'aS,6S,6'R,6aS,6'aS)-1,1'-dibenzylspiro[3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazole-6,5'-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole]-6'-ol
SMILESO[C@@H]1[C@@H]2[C@@H](CON2Cc2ccccc2)C[C@@]12OC[C@@H]1CON(Cc3ccccc3)[C@@H]12
InChIInChI=1S/C24H28N2O4/c27-23-21-19(15-29-25(21)12-17-7-3-1-4-8-17)11-24(23)22-20(14-28-24)16-30-26(22)13-18-9-5-2-6-10-18/h1-10,19-23,27H,11-16H2/t19-,20-,21+,22+,23-,24+/m1/s1
InChIKeyZHFBYNUDUZMJNB-VXAMWORUSA-N
XLogP2.38
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aR,3'aS,6S,6'R,6aS,6'aS)-1,1'-dibenzylspiro[3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazole-6,5'-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole]-6'-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,3'aS,6S,6'R,6aS,6'aS)-1,1'-dibenzylspiro[3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazole-6,5'-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole]-6'-ol?
The IUPAC name of (3aR,3'aS,6S,6'R,6aS,6'aS)-1,1'-dibenzylspiro[3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazole-6,5'-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole]-6'-ol (CID 11338780) is (3aR,3'aS,6S,6'R,6aS,6'aS)-1,1'-dibenzylspiro[3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazole-6,5'-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole]-6'-ol.
What is the SMILES notation for (3aR,3'aS,6S,6'R,6aS,6'aS)-1,1'-dibenzylspiro[3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazole-6,5'-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole]-6'-ol?
The canonical SMILES for (3aR,3'aS,6S,6'R,6aS,6'aS)-1,1'-dibenzylspiro[3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazole-6,5'-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole]-6'-ol is O[C@@H]1[C@@H]2[C@@H](CON2Cc2ccccc2)C[C@@]12OC[C@@H]1CON(Cc3ccccc3)[C@@H]12.
What is the InChIKey of (3aR,3'aS,6S,6'R,6aS,6'aS)-1,1'-dibenzylspiro[3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazole-6,5'-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole]-6'-ol?
The InChIKey is ZHFBYNUDUZMJNB-VXAMWORUSA-N. The full InChI is InChI=1S/C24H28N2O4/c27-23-21-19(15-29-25(21)12-17-7-3-1-4-8-17)11-24(23)22-20(14-28-24)16-30-26(22)13-18-9-5-2-6-10-18/h1-10,19-23,27H,11-16H2/t19-,20-,21+,22+,23-,24+/m1/s1.
What are the key properties of (3aR,3'aS,6S,6'R,6aS,6'aS)-1,1'-dibenzylspiro[3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazole-6,5'-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole]-6'-ol?
(3aR,3'aS,6S,6'R,6aS,6'aS)-1,1'-dibenzylspiro[3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazole-6,5'-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole]-6'-ol has a molecular weight of 408.50 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,3'aS,6S,6'R,6aS,6'aS)-1,1'-dibenzylspiro[3,3a,4,6a-tetrahydrofuro[3,4-c][1,2]oxazole-6,5'-3a,4,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazole]-6'-ol is sourced from PubChem (CID 11338780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).