(6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole

C8H15NO2 — CID 92642297

IUPAC(6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole
SMILESCC[C@@]12OCCN1C[C@@H](C)O2
InChIInChI=1S/C8H15NO2/c1-3-8-9(4-5-10-8)6-7(2)11-8/h7H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyMZPHFONHVUPESF-SFYZADRCSA-N
MW157.21 g/mol
LogP0.80
Rot. Bonds1

About (6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole

(6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole (PubChem CID 92642297) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole.

Molecular Properties

Compound Name(6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole
PubChem CID92642297
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole
SMILESCC[C@@]12OCCN1C[C@@H](C)O2
InChIInChI=1S/C8H15NO2/c1-3-8-9(4-5-10-8)6-7(2)11-8/h7H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyMZPHFONHVUPESF-SFYZADRCSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole with MolForge

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Related Compounds

7a-ethyl-2,6-dimethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole
CID 68570933
[1-(2-methylmorpholin-4-yl)cyclopropyl]methanamine
CID 106660995
4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide
CID 139781712
[1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine
CID 43099350
triethoxy-[3-(2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazol-7a-yl)propyl]silane
CID 86042493
8a-[2-(2,3-dipropylcyclopropyl)ethyl]-3,5,6,8-tetrahydro-2H-[1,3]oxazolo[2,3-c][1,4]oxazine
CID 135182095
[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
(2S)-2,4-dimethylmorpholine;propane
CID 178115221
2,2-diethyl-5-methyl-1,4-dioxane
CID 151533487
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]oxolan-3-yl]methanamine
CID 104958107
[2,5-dimethyl-1-(2-methylmorpholin-4-yl)cyclohexyl]methanamine
CID 64760139

Frequently Asked Questions

What is the IUPAC name of (6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole?
The IUPAC name of (6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole (CID 92642297) is (6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole.
What is the SMILES notation for (6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole?
The canonical SMILES for (6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole is CC[C@@]12OCCN1C[C@@H](C)O2.
What is the InChIKey of (6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole?
The InChIKey is MZPHFONHVUPESF-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-8-9(4-5-10-8)6-7(2)11-8/h7H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole?
(6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole has a molecular weight of 157.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole is sourced from PubChem (CID 92642297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).