N-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C16H23N3O — CID 62138167

IUPACN-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNCCCc1nnc(CCCc2ccccc2)o1
InChIInChI=1S/C16H23N3O/c1-2-17-13-7-12-16-19-18-15(20-16)11-6-10-14-8-4-3-5-9-14/h3-5,8-9,17H,2,6-7,10-13H2,1H3
InChIKeyGHXRLRQJRWXOCN-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.79
Rot. Bonds9

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

N-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62138167) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62138167
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNCCCc1nnc(CCCc2ccccc2)o1
InChIInChI=1S/C16H23N3O/c1-2-17-13-7-12-16-19-18-15(20-16)11-6-10-14-8-4-3-5-9-14/h3-5,8-9,17H,2,6-7,10-13H2,1H3
InChIKeyGHXRLRQJRWXOCN-UHFFFAOYSA-N
XLogP2.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 55039217
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
5-(ethylaminomethyl)-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969533
3-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 110653706
3-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62138165
N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 62137262
4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912310
N-ethyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62137800
2-benzyl-5-propyl-1,3,4-oxadiazole
CID 14949002
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol
CID 82830169
N-ethyl-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 104632933

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62138167) is N-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCNCCCc1nnc(CCCc2ccccc2)o1.
What is the InChIKey of N-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is GHXRLRQJRWXOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-17-13-7-12-16-19-18-15(20-16)11-6-10-14-8-4-3-5-9-14/h3-5,8-9,17H,2,6-7,10-13H2,1H3.
What are the key properties of N-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62138167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).