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

C12H23N3O2 — CID 63345228

IUPAC3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCN(CC)CCc1noc(C(C)C(C)O)n1
InChIInChI=1S/C12H23N3O2/c1-5-15(6-2)8-7-11-13-12(17-14-11)9(3)10(4)16/h9-10,16H,5-8H2,1-4H3
InChIKeyCUEYLQFHZCAQQC-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.44
Rot. Bonds7

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

3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 63345228) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID63345228
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCN(CC)CCc1noc(C(C)C(C)O)n1
InChIInChI=1S/C12H23N3O2/c1-5-15(6-2)8-7-11-13-12(17-14-11)9(3)10(4)16/h9-10,16H,5-8H2,1-4H3
InChIKeyCUEYLQFHZCAQQC-UHFFFAOYSA-N
XLogP1.44
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63561817
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63345080
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347344
3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63716697
3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103476792
N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348667
4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191511
(1S)-1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29050320
2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 79964951
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43670441
2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79799121
2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 119027578

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 63345228) is 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol is CCN(CC)CCc1noc(C(C)C(C)O)n1.
What is the InChIKey of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is CUEYLQFHZCAQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-15(6-2)8-7-11-13-12(17-14-11)9(3)10(4)16/h9-10,16H,5-8H2,1-4H3.
What are the key properties of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol?
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 1.44, 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]butan-2-ol is sourced from PubChem (CID 63345228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).