N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine

C11H21N3O — CID 115888896

IUPACN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine
SMILESCCc1nc(CCNC(CC)CC)no1
InChIInChI=1S/C11H21N3O/c1-4-9(5-2)12-8-7-10-13-11(6-3)15-14-10/h9,12H,4-8H2,1-3H3
InChIKeyXYTIJKIJUBOQGV-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.95
Rot. Bonds7

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

N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine (PubChem CID 115888896) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine
PubChem CID115888896
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine
SMILESCCc1nc(CCNC(CC)CC)no1
InChIInChI=1S/C11H21N3O/c1-4-9(5-2)12-8-7-10-13-11(6-3)15-14-10/h9,12H,4-8H2,1-3H3
InChIKeyXYTIJKIJUBOQGV-UHFFFAOYSA-N
XLogP1.95
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine
CID 115663726
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine
CID 104583094
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 60835612
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65093902
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350604
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350491
5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole
CID 64787979
3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole
CID 19928671
(5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol
CID 130569000
1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955452
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile
CID 106417030
N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 53211498

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine?
The IUPAC name of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine (CID 115888896) is N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine.
What is the SMILES notation for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine?
The canonical SMILES for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine is CCc1nc(CCNC(CC)CC)no1.
What is the InChIKey of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine?
The InChIKey is XYTIJKIJUBOQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-9(5-2)12-8-7-10-13-11(6-3)15-14-10/h9,12H,4-8H2,1-3H3.
What are the key properties of N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine?
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine has a molecular weight of 211.31 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 115888896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).