1,3,5,7,7a-pentamethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

C10H19NO2 — CID 58312211

IUPAC1,3,5,7,7a-pentamethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCC1OC(C)C2(C)C(C)OC(C)N12
InChIInChI=1S/C10H19NO2/c1-6-10(5)7(2)13-9(4)11(10)8(3)12-6/h6-9H,1-5H3
InChIKeyGHMBQHYSTZZDEO-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds

About 1,3,5,7,7a-pentamethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

1,3,5,7,7a-pentamethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (PubChem CID 58312211) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,3,5,7,7a-pentamethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.

Molecular Properties

Compound Name1,3,5,7,7a-pentamethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
PubChem CID58312211
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1,3,5,7,7a-pentamethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCC1OC(C)C2(C)C(C)OC(C)N12
InChIInChI=1S/C10H19NO2/c1-6-10(5)7(2)13-9(4)11(10)8(3)12-6/h6-9H,1-5H3
InChIKeyGHMBQHYSTZZDEO-UHFFFAOYSA-N
XLogP1.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,7a-pentamethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The IUPAC name of 1,3,5,7,7a-pentamethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (CID 58312211) is 1,3,5,7,7a-pentamethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.
What is the SMILES notation for 1,3,5,7,7a-pentamethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The canonical SMILES for 1,3,5,7,7a-pentamethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is CC1OC(C)C2(C)C(C)OC(C)N12.
What is the InChIKey of 1,3,5,7,7a-pentamethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The InChIKey is GHMBQHYSTZZDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-10(5)7(2)13-9(4)11(10)8(3)12-6/h6-9H,1-5H3.
What are the key properties of 1,3,5,7,7a-pentamethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
1,3,5,7,7a-pentamethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole has a molecular weight of 185.27 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,7a-pentamethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is sourced from PubChem (CID 58312211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).