1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine

C13H17N3O — CID 62880091

IUPAC1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine
SMILESCCc1nc(C(N)CCc2ccccc2)no1
InChIInChI=1S/C13H17N3O/c1-2-12-15-13(16-17-12)11(14)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3
InChIKeyPWEFLOJVSNAGMV-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.26
Rot. Bonds5

About 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine (PubChem CID 62880091) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine
PubChem CID62880091
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine
SMILESCCc1nc(C(N)CCc2ccccc2)no1
InChIInChI=1S/C13H17N3O/c1-2-12-15-13(16-17-12)11(14)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3
InChIKeyPWEFLOJVSNAGMV-UHFFFAOYSA-N
XLogP2.26
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Proxazole
CID 8590
1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine
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CID 16188967
(1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine
CID 58035515
(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine hydrochloride
CID 51051897
Isopropyl-(3-p-tolyl-[1,2,4]oxadiazol-5-ylmethyl)-amine
CID 957364
2-(3-Phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 3157458
4-(3-Benzyl-1,2,4-oxadiazol-5-yl)piperidine
CID 41541757
2-[(1S)-1-[3-(4-octylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]guanidine;hydrochloride
CID 118734331
3-[3-[(4-Nonylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 168269823
3-[3-[2-(4-Octylphenyl)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 168288505
US11433053, Example 154
CID 146994117

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine (CID 62880091) is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine is CCc1nc(C(N)CCc2ccccc2)no1.
What is the InChIKey of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine?
The InChIKey is PWEFLOJVSNAGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-12-15-13(16-17-12)11(14)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3.
What are the key properties of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine?
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 62880091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).