3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C13H17N3O — CID 16767874

IUPAC3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESNCCCc1nc(CCc2ccccc2)no1
InChIInChI=1S/C13H17N3O/c14-10-4-7-13-15-12(16-17-13)9-8-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2
InChIKeyJTOMAPFIHABODO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.75
Rot. Bonds6

About 3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 16767874) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID16767874
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESNCCCc1nc(CCc2ccccc2)no1
InChIInChI=1S/C13H17N3O/c14-10-4-7-13-15-12(16-17-13)9-8-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2
InChIKeyJTOMAPFIHABODO-UHFFFAOYSA-N
XLogP1.75
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335871
5-(chloromethyl)-3-(2-phenylethyl)-1,2,4-oxadiazole
CID 61384973
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride
CID 119947668
4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685809
2-methyl-N-[2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 61385551
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350181
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 16767692
N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 61385000
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152030
2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120834184
1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 64672821
N-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62342168

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 16767874) is 3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is NCCCc1nc(CCc2ccccc2)no1.
What is the InChIKey of 3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is JTOMAPFIHABODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-10-4-7-13-15-12(16-17-13)9-8-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2.
What are the key properties of 3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 16767874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).