2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine

C14H20N4O — CID 115345494

IUPAC2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESCN(C)CCc1noc(-c2ccccc2CCN)n1
InChIInChI=1S/C14H20N4O/c1-18(2)10-8-13-16-14(19-17-13)12-6-4-3-5-11(12)7-9-15/h3-6H,7-10,15H2,1-2H3
InChIKeyAKKLAVJWYXDXSR-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.34
Rot. Bonds6

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

2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (PubChem CID 115345494) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
PubChem CID115345494
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESCN(C)CCc1noc(-c2ccccc2CCN)n1
InChIInChI=1S/C14H20N4O/c1-18(2)10-8-13-16-14(19-17-13)12-6-4-3-5-11(12)7-9-15/h3-6H,7-10,15H2,1-2H3
InChIKeyAKKLAVJWYXDXSR-UHFFFAOYSA-N
XLogP1.34
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65133289
2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 102926665
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334113
2-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 82007721
2-[5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylethanamine
CID 115345482
5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791190
2-[2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 116702123
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 113291073
2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine
CID 115022622
2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-4-(trifluoromethyl)aniline
CID 115345312
N,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine
CID 116799675
2-[2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65412676

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The IUPAC name of 2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (CID 115345494) is 2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The canonical SMILES for 2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is CN(C)CCc1noc(-c2ccccc2CCN)n1.
What is the InChIKey of 2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The InChIKey is AKKLAVJWYXDXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-18(2)10-8-13-16-14(19-17-13)12-6-4-3-5-11(12)7-9-15/h3-6H,7-10,15H2,1-2H3.
What are the key properties of 2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is sourced from PubChem (CID 115345494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).