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

C10H16N4O — CID 106417030

IUPAC3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile
SMILESCCC(CC#N)NCCc1nc(C)no1
InChIInChI=1S/C10H16N4O/c1-3-9(4-6-11)12-7-5-10-13-8(2)14-15-10/h9,12H,3-5,7H2,1-2H3
InChIKeyJINXRZRMTWCCAC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.20
Rot. Bonds6

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

3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile (PubChem CID 106417030) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile.

Molecular Properties

Compound Name3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile
PubChem CID106417030
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile
SMILESCCC(CC#N)NCCc1nc(C)no1
InChIInChI=1S/C10H16N4O/c1-3-9(4-6-11)12-7-5-10-13-8(2)14-15-10/h9,12H,3-5,7H2,1-2H3
InChIKeyJINXRZRMTWCCAC-UHFFFAOYSA-N
XLogP1.20
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3-phenylpropanenitrile
CID 106417143
N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide
CID 106417469
1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
CID 115889167
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine
CID 103901524
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 103901588
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106414068
5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine
CID 61015246
2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 106417471
2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine
CID 115889350
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine
CID 115888896
1-(5-ethylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 75515317

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile?
The IUPAC name of 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile (CID 106417030) is 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile.
What is the SMILES notation for 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile?
The canonical SMILES for 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile is CCC(CC#N)NCCc1nc(C)no1.
What is the InChIKey of 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile?
The InChIKey is JINXRZRMTWCCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-9(4-6-11)12-7-5-10-13-8(2)14-15-10/h9,12H,3-5,7H2,1-2H3.
What are the key properties of 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile?
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile has a molecular weight of 208.26 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile is sourced from PubChem (CID 106417030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).