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

C13H15N3O — CID 55237242

IUPAC2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
SMILESNCCc1cccc(-c2nc(C3CC3)no2)c1
InChIInChI=1S/C13H15N3O/c14-7-6-9-2-1-3-11(8-9)13-15-12(16-17-13)10-4-5-10/h1-3,8,10H,4-7,14H2
InChIKeyATUIJGXLQCFOAU-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.12
Rot. Bonds4

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

2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine (PubChem CID 55237242) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
PubChem CID55237242
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
SMILESNCCc1cccc(-c2nc(C3CC3)no2)c1
InChIInChI=1S/C13H15N3O/c14-7-6-9-2-1-3-11(8-9)13-15-12(16-17-13)10-4-5-10/h1-3,8,10H,4-7,14H2
InChIKeyATUIJGXLQCFOAU-UHFFFAOYSA-N
XLogP2.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
CID 63793365
2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63892975
2-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63795660
2-[4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65415299
2-[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 104788751
2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 102926840
2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63793713
2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63839551
N,N-dimethyl-1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 72892117
N,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 97444607
3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527923
2-[3-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65136833

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine (CID 55237242) is 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine is NCCc1cccc(-c2nc(C3CC3)no2)c1.
What is the InChIKey of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine?
The InChIKey is ATUIJGXLQCFOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-7-6-9-2-1-3-11(8-9)13-15-12(16-17-13)10-4-5-10/h1-3,8,10H,4-7,14H2.
What are the key properties of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine?
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine has a molecular weight of 229.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine is sourced from PubChem (CID 55237242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).