[(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol

C20H26N2O2S — CID 133116636

IUPAC[(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
SMILESCSc1ccc(-c2nc(CN3C[C@@H]4CCC[C@]4(CO)C3)c(C)o2)cc1
InChIInChI=1S/C20H26N2O2S/c1-14-18(11-22-10-16-4-3-9-20(16,12-22)13-23)21-19(24-14)15-5-7-17(25-2)8-6-15/h5-8,16,23H,3-4,9-13H2,1-2H3/t16-,20+/m0/s1
InChIKeyICQLYDMPANRGND-OXJNMPFZSA-N
MW358.51 g/mol
LogP3.97
Rot. Bonds5

About [(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol

[(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol (PubChem CID 133116636) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is [(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
PubChem CID133116636
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name[(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
SMILESCSc1ccc(-c2nc(CN3C[C@@H]4CCC[C@]4(CO)C3)c(C)o2)cc1
InChIInChI=1S/C20H26N2O2S/c1-14-18(11-22-10-16-4-3-9-20(16,12-22)13-23)21-19(24-14)15-5-7-17(25-2)8-6-15/h5-8,16,23H,3-4,9-13H2,1-2H3/t16-,20+/m0/s1
InChIKeyICQLYDMPANRGND-OXJNMPFZSA-N
XLogP3.97
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The IUPAC name of [(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol (CID 133116636) is [(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The canonical SMILES for [(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol is CSc1ccc(-c2nc(CN3C[C@@H]4CCC[C@]4(CO)C3)c(C)o2)cc1.
What is the InChIKey of [(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The InChIKey is ICQLYDMPANRGND-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-14-18(11-22-10-16-4-3-9-20(16,12-22)13-23)21-19(24-14)15-5-7-17(25-2)8-6-15/h5-8,16,23H,3-4,9-13H2,1-2H3/t16-,20+/m0/s1.
What are the key properties of [(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
[(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol has a molecular weight of 358.51 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 133116636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).