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

C12H24N4O — CID 79799121

IUPAC2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCN(CC)CCc1noc(C(C)(N)CC)n1
InChIInChI=1S/C12H24N4O/c1-5-12(4,13)11-14-10(15-17-11)8-9-16(6-2)7-3/h5-9,13H2,1-4H3
InChIKeyCMQOQICPWUJPJW-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.54
Rot. Bonds7

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

2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 79799121) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID79799121
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCN(CC)CCc1noc(C(C)(N)CC)n1
InChIInChI=1S/C12H24N4O/c1-5-12(4,13)11-14-10(15-17-11)8-9-16(6-2)7-3/h5-9,13H2,1-4H3
InChIKeyCMQOQICPWUJPJW-UHFFFAOYSA-N
XLogP1.54
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 79472137
N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 55243449
2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798500
1,1,1-trifluoro-2-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 79798158
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347344
[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 62677703
N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79668122
2-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798327
2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79799234
4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191511
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345228
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 136984506

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 79799121) is 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine is CCN(CC)CCc1noc(C(C)(N)CC)n1.
What is the InChIKey of 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is CMQOQICPWUJPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-5-12(4,13)11-14-10(15-17-11)8-9-16(6-2)7-3/h5-9,13H2,1-4H3.
What are the key properties of 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine?
2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 240.35 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 79799121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).