1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol

C8H15N3O2 — CID 116808889

IUPAC1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCCN(CC)c1noc(C(C)O)n1
InChIInChI=1S/C8H15N3O2/c1-4-11(5-2)8-9-7(6(3)12)13-10-8/h6,12H,4-5H2,1-3H3
InChIKeyORUJAFWRIZKPNA-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.97
Rot. Bonds4

About 1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol

1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 116808889) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID116808889
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCCN(CC)c1noc(C(C)O)n1
InChIInChI=1S/C8H15N3O2/c1-4-11(5-2)8-9-7(6(3)12)13-10-8/h6,12H,4-5H2,1-3H3
InChIKeyORUJAFWRIZKPNA-UHFFFAOYSA-N
XLogP0.97
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806455
3-amino-1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837373
3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 116808735
5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 104904371
N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine
CID 116809052
4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106526949
N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine
CID 116809085
[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol
CID 116808898
3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526952
N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 116806285
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79604650
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349469

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol (CID 116808889) is 1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol is CCN(CC)c1noc(C(C)O)n1.
What is the InChIKey of 1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is ORUJAFWRIZKPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-4-11(5-2)8-9-7(6(3)12)13-10-8/h6,12H,4-5H2,1-3H3.
What are the key properties of 1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol?
1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 185.23 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 116808889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).