7a-propan-2-yl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

C8H15NO2 — CID 57217074

IUPAC7a-propan-2-yl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCC(C)C12COCN1COC2
InChIInChI=1S/C8H15NO2/c1-7(2)8-3-10-5-9(8)6-11-4-8/h7H,3-6H2,1-2H3
InChIKeyFLHPYCWXCVYNOM-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.66
Rot. Bonds1

About 7a-propan-2-yl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

7a-propan-2-yl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (PubChem CID 57217074) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 7a-propan-2-yl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.

Molecular Properties

Compound Name7a-propan-2-yl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
PubChem CID57217074
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name7a-propan-2-yl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCC(C)C12COCN1COC2
InChIInChI=1S/C8H15NO2/c1-7(2)8-3-10-5-9(8)6-11-4-8/h7H,3-6H2,1-2H3
InChIKeyFLHPYCWXCVYNOM-UHFFFAOYSA-N
XLogP0.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7a-propan-2-yl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The IUPAC name of 7a-propan-2-yl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (CID 57217074) is 7a-propan-2-yl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.
What is the SMILES notation for 7a-propan-2-yl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The canonical SMILES for 7a-propan-2-yl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is CC(C)C12COCN1COC2.
What is the InChIKey of 7a-propan-2-yl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The InChIKey is FLHPYCWXCVYNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)8-3-10-5-9(8)6-11-4-8/h7H,3-6H2,1-2H3.
What are the key properties of 7a-propan-2-yl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
7a-propan-2-yl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole has a molecular weight of 157.21 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-propan-2-yl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is sourced from PubChem (CID 57217074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).