7a-methyl-3,5-bis[1-[4-(2-methylpropyl)phenyl]propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

C32H47NO2 — CID 58035927

IUPAC7a-methyl-3,5-bis[1-[4-(2-methylpropyl)phenyl]propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCC(C)Cc1ccc(CC(C)C2OCC3(C)COC(C(C)Cc4ccc(CC(C)C)cc4)N23)cc1
InChIInChI=1S/C32H47NO2/c1-22(2)16-26-8-12-28(13-9-26)18-24(5)30-33-31(35-21-32(33,7)20-34-30)25(6)19-29-14-10-27(11-15-29)17-23(3)4/h8-15,22-25,30-31H,16-21H2,1-7H3
InChIKeyKMCWCRBMPLTRGZ-UHFFFAOYSA-N
MW477.73 g/mol
LogP6.91
Rot. Bonds10

About 7a-methyl-3,5-bis[1-[4-(2-methylpropyl)phenyl]propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

7a-methyl-3,5-bis[1-[4-(2-methylpropyl)phenyl]propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (PubChem CID 58035927) has the molecular formula C32H47NO2 and a molecular weight of 477.73 g/mol. Its IUPAC name is 7a-methyl-3,5-bis[1-[4-(2-methylpropyl)phenyl]propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.

Molecular Properties

Compound Name7a-methyl-3,5-bis[1-[4-(2-methylpropyl)phenyl]propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
PubChem CID58035927
Molecular FormulaC32H47NO2
Molecular Weight477.73 g/mol
Exact Mass477.36
IUPAC Name7a-methyl-3,5-bis[1-[4-(2-methylpropyl)phenyl]propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCC(C)Cc1ccc(CC(C)C2OCC3(C)COC(C(C)Cc4ccc(CC(C)C)cc4)N23)cc1
InChIInChI=1S/C32H47NO2/c1-22(2)16-26-8-12-28(13-9-26)18-24(5)30-33-31(35-21-32(33,7)20-34-30)25(6)19-29-14-10-27(11-15-29)17-23(3)4/h8-15,22-25,30-31H,16-21H2,1-7H3
InChIKeyKMCWCRBMPLTRGZ-UHFFFAOYSA-N
XLogP6.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.73
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-3,5-bis[1-[4-(2-methylpropyl)phenyl]propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The IUPAC name of 7a-methyl-3,5-bis[1-[4-(2-methylpropyl)phenyl]propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (CID 58035927) is 7a-methyl-3,5-bis[1-[4-(2-methylpropyl)phenyl]propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.
What is the SMILES notation for 7a-methyl-3,5-bis[1-[4-(2-methylpropyl)phenyl]propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The canonical SMILES for 7a-methyl-3,5-bis[1-[4-(2-methylpropyl)phenyl]propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is CC(C)Cc1ccc(CC(C)C2OCC3(C)COC(C(C)Cc4ccc(CC(C)C)cc4)N23)cc1.
What is the InChIKey of 7a-methyl-3,5-bis[1-[4-(2-methylpropyl)phenyl]propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The InChIKey is KMCWCRBMPLTRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47NO2/c1-22(2)16-26-8-12-28(13-9-26)18-24(5)30-33-31(35-21-32(33,7)20-34-30)25(6)19-29-14-10-27(11-15-29)17-23(3)4/h8-15,22-25,30-31H,16-21H2,1-7H3.
What are the key properties of 7a-methyl-3,5-bis[1-[4-(2-methylpropyl)phenyl]propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
7a-methyl-3,5-bis[1-[4-(2-methylpropyl)phenyl]propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole has a molecular weight of 477.73 g/mol, XLogP of 6.91, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-3,5-bis[1-[4-(2-methylpropyl)phenyl]propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is sourced from PubChem (CID 58035927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).