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

C24H31NO2 — CID 138523478

IUPAC7a-methyl-3,5-bis(2-phenylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCC(CC1OCC2(C)COC(CC(C)c3ccccc3)N12)c1ccccc1
InChIInChI=1S/C24H31NO2/c1-18(20-10-6-4-7-11-20)14-22-25-23(27-17-24(25,3)16-26-22)15-19(2)21-12-8-5-9-13-21/h4-13,18-19,22-23H,14-17H2,1-3H3
InChIKeyDQFGDIHRHZTTGH-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.15
Rot. Bonds6

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

7a-methyl-3,5-bis(2-phenylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (PubChem CID 138523478) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 7a-methyl-3,5-bis(2-phenylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.

Molecular Properties

Compound Name7a-methyl-3,5-bis(2-phenylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
PubChem CID138523478
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name7a-methyl-3,5-bis(2-phenylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCC(CC1OCC2(C)COC(CC(C)c3ccccc3)N12)c1ccccc1
InChIInChI=1S/C24H31NO2/c1-18(20-10-6-4-7-11-20)14-22-25-23(27-17-24(25,3)16-26-22)15-19(2)21-12-8-5-9-13-21/h4-13,18-19,22-23H,14-17H2,1-3H3
InChIKeyDQFGDIHRHZTTGH-UHFFFAOYSA-N
XLogP5.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.15
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(2-phenylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The IUPAC name of 7a-methyl-3,5-bis(2-phenylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (CID 138523478) is 7a-methyl-3,5-bis(2-phenylpropyl)-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(2-phenylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The canonical SMILES for 7a-methyl-3,5-bis(2-phenylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is CC(CC1OCC2(C)COC(CC(C)c3ccccc3)N12)c1ccccc1.
What is the InChIKey of 7a-methyl-3,5-bis(2-phenylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The InChIKey is DQFGDIHRHZTTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-18(20-10-6-4-7-11-20)14-22-25-23(27-17-24(25,3)16-26-22)15-19(2)21-12-8-5-9-13-21/h4-13,18-19,22-23H,14-17H2,1-3H3.
What are the key properties of 7a-methyl-3,5-bis(2-phenylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
7a-methyl-3,5-bis(2-phenylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole has a molecular weight of 365.52 g/mol, XLogP of 5.15, 6 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(2-phenylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is sourced from PubChem (CID 138523478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).