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

C10H16N4O — CID 106526952

IUPAC3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
SMILESCCN(CC)c1noc(CC(C)C#N)n1
InChIInChI=1S/C10H16N4O/c1-4-14(5-2)10-12-9(15-13-10)6-8(3)7-11/h8H,4-6H2,1-3H3
InChIKeyYVVVEPYUBFAGIU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.62
Rot. Bonds5

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

3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile (PubChem CID 106526952) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
PubChem CID106526952
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
SMILESCCN(CC)c1noc(CC(C)C#N)n1
InChIInChI=1S/C10H16N4O/c1-4-14(5-2)10-12-9(15-13-10)6-8(3)7-11/h8H,4-6H2,1-3H3
InChIKeyYVVVEPYUBFAGIU-UHFFFAOYSA-N
XLogP1.62
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile
CID 106523990
[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol
CID 116808898
5-(2-amino-2-cyclopropylethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806228
N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 116806285
2-methyl-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525935
4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106526949
2-methyl-3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106526114
3-[3-(4-hydroxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 136770721
2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525013
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile
CID 106526000
3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526135
1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol
CID 116808889

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile?
The IUPAC name of 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile (CID 106526952) is 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile.
What is the SMILES notation for 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile?
The canonical SMILES for 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile is CCN(CC)c1noc(CC(C)C#N)n1.
What is the InChIKey of 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile?
The InChIKey is YVVVEPYUBFAGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-4-14(5-2)10-12-9(15-13-10)6-8(3)7-11/h8H,4-6H2,1-3H3.
What are the key properties of 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile?
3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile has a molecular weight of 208.26 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile is sourced from PubChem (CID 106526952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).