7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole

C9H17NO2 — CID 68570933

IUPAC7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole
SMILESCCC12OC(C)CN1CC(C)O2
InChIInChI=1S/C9H17NO2/c1-4-9-10(5-7(2)11-9)6-8(3)12-9/h7-8H,4-6H2,1-3H3
InChIKeyKMWIMQVQXWPMCS-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds1

About 7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole

7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole (PubChem CID 68570933) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole.

Molecular Properties

Compound Name7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole
PubChem CID68570933
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole
SMILESCCC12OC(C)CN1CC(C)O2
InChIInChI=1S/C9H17NO2/c1-4-9-10(5-7(2)11-9)6-8(3)12-9/h7-8H,4-6H2,1-3H3
InChIKeyKMWIMQVQXWPMCS-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

Analyze 7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole with MolForge

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Related Compounds

(6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole
CID 92642297
[4-(2,6-dimethylmorpholin-4-yl)oxan-4-yl]methanamine
CID 43608670
7-ethyl-5-methyl-4-oxa-7-azaspiro[2.5]octane
CID 174254137
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]oxolan-3-yl]methanamine
CID 104958107
(5R)-2,2,3,5-tetramethyl-1,3-oxazolidine
CID 122598898
2,2-dichloro-1-(2-ethyl-2,5-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 23043343
[3,3,5,5-tetramethyl-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine
CID 115999082
2-ethyl-2,6-dimethylmorpholine
CID 65102213
(2R)-2-hexadecyl-2,4-dimethyloxetane
CID 11638167
[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol
CID 62391374
(2R,5S)-2-ethyl-2,3,3,5-tetramethyloxolane
CID 89295957
[2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)oxolan-3-yl]methanamine
CID 82719280

Frequently Asked Questions

What is the IUPAC name of 7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole?
The IUPAC name of 7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole (CID 68570933) is 7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole.
What is the SMILES notation for 7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole?
The canonical SMILES for 7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole is CCC12OC(C)CN1CC(C)O2.
What is the InChIKey of 7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole?
The InChIKey is KMWIMQVQXWPMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-9-10(5-7(2)11-9)6-8(3)12-9/h7-8H,4-6H2,1-3H3.
What are the key properties of 7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole?
7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][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 7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole is sourced from PubChem (CID 68570933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).