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

C15H21N3O — CID 63892975

IUPAC2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESCC(C)(C)Cc1noc(-c2cccc(CCN)c2)n1
InChIInChI=1S/C15H21N3O/c1-15(2,3)10-13-17-14(19-18-13)12-6-4-5-11(9-12)7-8-16/h4-6,9H,7-8,10,16H2,1-3H3
InChIKeyIQUGBNFRGJCWOP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.83
Rot. Bonds4

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

2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (PubChem CID 63892975) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
PubChem CID63892975
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESCC(C)(C)Cc1noc(-c2cccc(CCN)c2)n1
InChIInChI=1S/C15H21N3O/c1-15(2,3)10-13-17-14(19-18-13)12-6-4-5-11(9-12)7-8-16/h4-6,9H,7-8,10,16H2,1-3H3
InChIKeyIQUGBNFRGJCWOP-UHFFFAOYSA-N
XLogP2.83
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 102926840
2-[3-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65136833
2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63793713
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
CID 55237242
2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
CID 63793365
2-[5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylethanamine
CID 115345482
2-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63795660
2-[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 104788751
2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63839551
2-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 61392809
2-bromo-5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938517
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine
CID 170868647

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The IUPAC name of 2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (CID 63892975) is 2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The canonical SMILES for 2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is CC(C)(C)Cc1noc(-c2cccc(CCN)c2)n1.
What is the InChIKey of 2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The InChIKey is IQUGBNFRGJCWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,3)10-13-17-14(19-18-13)12-6-4-5-11(9-12)7-8-16/h4-6,9H,7-8,10,16H2,1-3H3.
What are the key properties of 2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is sourced from PubChem (CID 63892975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).