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

C11H18N4O — CID 106526949

IUPAC4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile
SMILESCCN(CC)c1noc(C(C)CCC#N)n1
InChIInChI=1S/C11H18N4O/c1-4-15(5-2)11-13-10(16-14-11)9(3)7-6-8-12/h9H,4-7H2,1-3H3
InChIKeyRTMAUOWFSJAZOU-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.32
Rot. Bonds6

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

4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile (PubChem CID 106526949) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile.

Molecular Properties

Compound Name4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile
PubChem CID106526949
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile
SMILESCCN(CC)c1noc(C(C)CCC#N)n1
InChIInChI=1S/C11H18N4O/c1-4-15(5-2)11-13-10(16-14-11)9(3)7-6-8-12/h9H,4-7H2,1-3H3
InChIKeyRTMAUOWFSJAZOU-UHFFFAOYSA-N
XLogP2.32
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806455
1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol
CID 116808889
5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 104904371
3-amino-1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837373
4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527156
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile
CID 106523647
5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808252
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527510
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106523542
N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine
CID 116809052
3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526952
3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 116808735

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile?
The IUPAC name of 4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile (CID 106526949) is 4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile.
What is the SMILES notation for 4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile?
The canonical SMILES for 4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile is CCN(CC)c1noc(C(C)CCC#N)n1.
What is the InChIKey of 4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile?
The InChIKey is RTMAUOWFSJAZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-4-15(5-2)11-13-10(16-14-11)9(3)7-6-8-12/h9H,4-7H2,1-3H3.
What are the key properties of 4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile?
4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile has a molecular weight of 222.29 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile is sourced from PubChem (CID 106526949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).