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

C30H43NO2 — CID 58035926

IUPAC7a-methyl-3,5-bis[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCC(C)c1ccc(CC(C)C2OCC3(C)COC(C(C)Cc4ccc(C(C)C)cc4)N23)cc1
InChIInChI=1S/C30H43NO2/c1-20(2)26-12-8-24(9-13-26)16-22(5)28-31-29(33-19-30(31,7)18-32-28)23(6)17-25-10-14-27(15-11-25)21(3)4/h8-15,20-23,28-29H,16-19H2,1-7H3
InChIKeyJFARJVSCYYMLOO-UHFFFAOYSA-N
MW449.68 g/mol
LogP6.76
Rot. Bonds8

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

7a-methyl-3,5-bis[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (PubChem CID 58035926) has the molecular formula C30H43NO2 and a molecular weight of 449.68 g/mol. Its IUPAC name is 7a-methyl-3,5-bis[1-(4-propan-2-ylphenyl)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-propan-2-ylphenyl)propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
PubChem CID58035926
Molecular FormulaC30H43NO2
Molecular Weight449.68 g/mol
Exact Mass449.33
IUPAC Name7a-methyl-3,5-bis[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCC(C)c1ccc(CC(C)C2OCC3(C)COC(C(C)Cc4ccc(C(C)C)cc4)N23)cc1
InChIInChI=1S/C30H43NO2/c1-20(2)26-12-8-24(9-13-26)16-22(5)28-31-29(33-19-30(31,7)18-32-28)23(6)17-25-10-14-27(15-11-25)21(3)4/h8-15,20-23,28-29H,16-19H2,1-7H3
InChIKeyJFARJVSCYYMLOO-UHFFFAOYSA-N
XLogP6.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.68
LogP ≤ 56.76
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-propan-2-ylphenyl)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-propan-2-ylphenyl)propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (CID 58035926) is 7a-methyl-3,5-bis[1-(4-propan-2-ylphenyl)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-propan-2-ylphenyl)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-propan-2-ylphenyl)propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is CC(C)c1ccc(CC(C)C2OCC3(C)COC(C(C)Cc4ccc(C(C)C)cc4)N23)cc1.
What is the InChIKey of 7a-methyl-3,5-bis[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The InChIKey is JFARJVSCYYMLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43NO2/c1-20(2)26-12-8-24(9-13-26)16-22(5)28-31-29(33-19-30(31,7)18-32-28)23(6)17-25-10-14-27(15-11-25)21(3)4/h8-15,20-23,28-29H,16-19H2,1-7H3.
What are the key properties of 7a-methyl-3,5-bis[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
7a-methyl-3,5-bis[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole has a molecular weight of 449.68 g/mol, XLogP of 6.76, 8 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-propan-2-ylphenyl)propan-2-yl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is sourced from PubChem (CID 58035926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).