2-(diethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol

C11H20N2O4 — CID 76789674

IUPAC2-(diethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol
SMILESCCN(CC)C1=NC2C(O)C(O)C(CO)C2O1
InChIInChI=1S/C11H20N2O4/c1-3-13(4-2)11-12-7-9(16)8(15)6(5-14)10(7)17-11/h6-10,14-16H,3-5H2,1-2H3
InChIKeyGETISROXJRIQAO-UHFFFAOYSA-N
MW244.29 g/mol
LogP-1.20
Rot. Bonds3

About 2-(diethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol

2-(diethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol (PubChem CID 76789674) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(diethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol.

Molecular Properties

Compound Name2-(diethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol
PubChem CID76789674
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-(diethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol
SMILESCCN(CC)C1=NC2C(O)C(O)C(CO)C2O1
InChIInChI=1S/C11H20N2O4/c1-3-13(4-2)11-12-7-9(16)8(15)6(5-14)10(7)17-11/h6-10,14-16H,3-5H2,1-2H3
InChIKeyGETISROXJRIQAO-UHFFFAOYSA-N
XLogP-1.20
TPSA85.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol?
The IUPAC name of 2-(diethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol (CID 76789674) is 2-(diethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol.
What is the SMILES notation for 2-(diethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol?
The canonical SMILES for 2-(diethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol is CCN(CC)C1=NC2C(O)C(O)C(CO)C2O1.
What is the InChIKey of 2-(diethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol?
The InChIKey is GETISROXJRIQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-13(4-2)11-12-7-9(16)8(15)6(5-14)10(7)17-11/h6-10,14-16H,3-5H2,1-2H3.
What are the key properties of 2-(diethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol?
2-(diethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol has a molecular weight of 244.29 g/mol, XLogP of -1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol is sourced from PubChem (CID 76789674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).