N-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine

C16H23N3O2 — CID 114782959

IUPACN-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine
SMILESCCCc1nc(COCCCNCc2ccccc2)no1
InChIInChI=1S/C16H23N3O2/c1-2-7-16-18-15(19-21-16)13-20-11-6-10-17-12-14-8-4-3-5-9-14/h3-5,8-9,17H,2,6-7,10-13H2,1H3
InChIKeyAOVWQJPQXRTKLD-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.72
Rot. Bonds10

About N-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine

N-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine (PubChem CID 114782959) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine
PubChem CID114782959
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine
SMILESCCCc1nc(COCCCNCc2ccccc2)no1
InChIInChI=1S/C16H23N3O2/c1-2-7-16-18-15(19-21-16)13-20-11-6-10-17-12-14-8-4-3-5-9-14/h3-5,8-9,17H,2,6-7,10-13H2,1H3
InChIKeyAOVWQJPQXRTKLD-UHFFFAOYSA-N
XLogP2.72
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine
CID 62336676
N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 61495422
N-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine
CID 114783024
N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine
CID 114783023
N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62484369
N-ethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine
CID 62336858
N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179
N-[(4-butoxyphenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648036
2-[2-(benzylamino)ethoxy]-N-ethylethanamine
CID 18338934
N-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 60838055
oxo-bis[3-[[4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]propoxy]phosphanium
CID 90120408
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine?
The IUPAC name of N-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine (CID 114782959) is N-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine.
What is the SMILES notation for N-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine?
The canonical SMILES for N-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine is CCCc1nc(COCCCNCc2ccccc2)no1.
What is the InChIKey of N-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine?
The InChIKey is AOVWQJPQXRTKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-7-16-18-15(19-21-16)13-20-11-6-10-17-12-14-8-4-3-5-9-14/h3-5,8-9,17H,2,6-7,10-13H2,1H3.
What are the key properties of N-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine?
N-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine is sourced from PubChem (CID 114782959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).