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

C7H13N3O2 — CID 116808898

IUPAC[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol
SMILESCCN(CC)c1noc(CO)n1
InChIInChI=1S/C7H13N3O2/c1-3-10(4-2)7-8-6(5-11)12-9-7/h11H,3-5H2,1-2H3
InChIKeyJJXSKUNLQGGMIA-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.41
Rot. Bonds4

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

[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 116808898) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is [3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID116808898
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol
SMILESCCN(CC)c1noc(CO)n1
InChIInChI=1S/C7H13N3O2/c1-3-10(4-2)7-8-6(5-11)12-9-7/h11H,3-5H2,1-2H3
InChIKeyJJXSKUNLQGGMIA-UHFFFAOYSA-N
XLogP0.41
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine
CID 116806185
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
1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol
CID 116808889
N,N-diethyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 116806158
5-(2-amino-2-cyclopropylethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806228
5-[[1-(aminomethyl)cyclohexyl]methyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806335
5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806455
(3-butyl-1,2,4-oxadiazol-5-yl)methanol
CID 43558836
3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 116808735
3-amino-1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837373
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499

Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol (CID 116808898) is [3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol is CCN(CC)c1noc(CO)n1.
What is the InChIKey of [3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is JJXSKUNLQGGMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-3-10(4-2)7-8-6(5-11)12-9-7/h11H,3-5H2,1-2H3.
What are the key properties of [3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol?
[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 171.20 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 116808898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).