N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C12H21N3O2 — CID 80681354

IUPACN-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNC(C)c1nc(C2(C)CCCCO2)no1
InChIInChI=1S/C12H21N3O2/c1-4-13-9(2)10-14-11(15-17-10)12(3)7-5-6-8-16-12/h9,13H,4-8H2,1-3H3
InChIKeyGXTKPXTXGYONCM-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.16
Rot. Bonds4

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

N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 80681354) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID80681354
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNC(C)c1nc(C2(C)CCCCO2)no1
InChIInChI=1S/C12H21N3O2/c1-4-13-9(2)10-14-11(15-17-10)12(3)7-5-6-8-16-12/h9,13H,4-8H2,1-3H3
InChIKeyGXTKPXTXGYONCM-UHFFFAOYSA-N
XLogP2.16
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80690087
(1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565487
3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80689965
3-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80690086
N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80680961
1,1,1-trifluoro-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 80681655
3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 80681808
2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 80683512
5-[chloro(phenyl)methyl]-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 80691775
5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 131065158
4-methoxy-1-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 81084550
4-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80681042

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 80681354) is N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is CCNC(C)c1nc(C2(C)CCCCO2)no1.
What is the InChIKey of N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is GXTKPXTXGYONCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-13-9(2)10-14-11(15-17-10)12(3)7-5-6-8-16-12/h9,13H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 239.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 80681354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).