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

C13H17N3O — CID 62675383

IUPAC2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(CN)c1nc(CCc2ccccc2)no1
InChIInChI=1S/C13H17N3O/c1-10(9-14)13-15-12(16-17-13)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3
InChIKeyXBPUDDQSXFSRJV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.92
Rot. Bonds5

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

2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 62675383) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID62675383
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(CN)c1nc(CCc2ccccc2)no1
InChIInChI=1S/C13H17N3O/c1-10(9-14)13-15-12(16-17-13)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3
InChIKeyXBPUDDQSXFSRJV-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Oxolamine
CID 13738
Prenoxdiazine
CID 120508
Proxazole
CID 8590
Libexin
CID 120507
4-(3-Benzhydryl-1,2,4-oxadiazol-5-yl)piperidine
CID 2761148
3-Phenyl-5-(beta-diethylaminoethyl)-1,2,4-oxadiazole hydrochloride
CID 14637
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 16760237
2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 4976390
2-(3-Phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 3157458
4-(3-Benzyl-1,2,4-oxadiazol-5-yl)piperidine
CID 41541757
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 62675383) is 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC(CN)c1nc(CCc2ccccc2)no1.
What is the InChIKey of 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is XBPUDDQSXFSRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(9-14)13-15-12(16-17-13)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3.
What are the key properties of 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 62675383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).