5-ethyl-5,7a-dimethyl-3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole

C9H17NO2 — CID 70557396

IUPAC5-ethyl-5,7a-dimethyl-3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCCC1(C)OCC2(C)COCN21
InChIInChI=1S/C9H17NO2/c1-4-9(3)10-7-11-5-8(10,2)6-12-9/h4-7H2,1-3H3
InChIKeyPBYFOROBGCFFBB-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds1

About 5-ethyl-5,7a-dimethyl-3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole

5-ethyl-5,7a-dimethyl-3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole (PubChem CID 70557396) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-ethyl-5,7a-dimethyl-3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole.

Molecular Properties

Compound Name5-ethyl-5,7a-dimethyl-3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole
PubChem CID70557396
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5-ethyl-5,7a-dimethyl-3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCCC1(C)OCC2(C)COCN21
InChIInChI=1S/C9H17NO2/c1-4-9(3)10-7-11-5-8(10,2)6-12-9/h4-7H2,1-3H3
InChIKeyPBYFOROBGCFFBB-UHFFFAOYSA-N
XLogP1.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5,7a-dimethyl-3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole?
The IUPAC name of 5-ethyl-5,7a-dimethyl-3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole (CID 70557396) is 5-ethyl-5,7a-dimethyl-3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole.
What is the SMILES notation for 5-ethyl-5,7a-dimethyl-3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole?
The canonical SMILES for 5-ethyl-5,7a-dimethyl-3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole is CCC1(C)OCC2(C)COCN21.
What is the InChIKey of 5-ethyl-5,7a-dimethyl-3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole?
The InChIKey is PBYFOROBGCFFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-9(3)10-7-11-5-8(10,2)6-12-9/h4-7H2,1-3H3.
What are the key properties of 5-ethyl-5,7a-dimethyl-3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole?
5-ethyl-5,7a-dimethyl-3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole has a molecular weight of 171.24 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5,7a-dimethyl-3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole is sourced from PubChem (CID 70557396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).