2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

C7H13N3O — CID 25220842

IUPAC2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(C)c1noc(CCN)n1
InChIInChI=1S/C7H13N3O/c1-5(2)7-9-6(3-4-8)11-10-7/h5H,3-4,8H2,1-2H3
InChIKeyQIZAQAIZJDBTJR-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.69
Rot. Bonds3

About 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 25220842) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID25220842
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(C)c1noc(CCN)n1
InChIInChI=1S/C7H13N3O/c1-5(2)7-9-6(3-4-8)11-10-7/h5H,3-4,8H2,1-2H3
InChIKeyQIZAQAIZJDBTJR-UHFFFAOYSA-N
XLogP0.69
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 80502975
5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 129255475
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
1-propan-2-yl-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111809405
1,1-diethyl-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111809481
1,1,3,3-tetramethyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111080287
4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79616272
2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 63326402
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 64540032
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347865
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62676276
5-(2-aminoethyl)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
CID 103119280

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 25220842) is 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is CC(C)c1noc(CCN)n1.
What is the InChIKey of 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is QIZAQAIZJDBTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(2)7-9-6(3-4-8)11-10-7/h5H,3-4,8H2,1-2H3.
What are the key properties of 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 155.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 25220842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).