3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol

C11H18F3N3O2 — CID 63345079

IUPAC3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCN(CC)CCc1noc(CC(O)C(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O2/c1-3-17(4-2)6-5-9-15-10(19-16-9)7-8(18)11(12,13)14/h8,18H,3-7H2,1-2H3
InChIKeyLVQNMAWCYNCEJM-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.42
Rot. Bonds7

About 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol

3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 63345079) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID63345079
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCN(CC)CCc1noc(CC(O)C(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O2/c1-3-17(4-2)6-5-9-15-10(19-16-9)7-8(18)11(12,13)14/h8,18H,3-7H2,1-2H3
InChIKeyLVQNMAWCYNCEJM-UHFFFAOYSA-N
XLogP1.42
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol (CID 63345079) is 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol is CCN(CC)CCc1noc(CC(O)C(F)(F)F)n1.
What is the InChIKey of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is LVQNMAWCYNCEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-3-17(4-2)6-5-9-15-10(19-16-9)7-8(18)11(12,13)14/h8,18H,3-7H2,1-2H3.
What are the key properties of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 281.28 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63345079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).