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

C13H21N5O — CID 106719161

IUPACN-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2nc(CCC)no2)cn1
InChIInChI=1S/C13H21N5O/c1-3-5-12-16-13(19-17-12)9-18-8-11(15-10-18)7-14-6-4-2/h8,10,14H,3-7,9H2,1-2H3
InChIKeyRTVBOZRBBHAHLH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.77
Rot. Bonds8

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

N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 106719161) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID106719161
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2nc(CCC)no2)cn1
InChIInChI=1S/C13H21N5O/c1-3-5-12-16-13(19-17-12)9-18-8-11(15-10-18)7-14-6-4-2/h8,10,14H,3-7,9H2,1-2H3
InChIKeyRTVBOZRBBHAHLH-UHFFFAOYSA-N
XLogP1.77
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720422
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719205
N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718842
N-[[1-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719188
N-[[1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 114204643
N-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719254
N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719021
N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719181
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718824
2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405412
N-[[1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 114204176

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine (CID 106719161) is N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(Cc2nc(CCC)no2)cn1.
What is the InChIKey of N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is RTVBOZRBBHAHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-5-12-16-13(19-17-12)9-18-8-11(15-10-18)7-14-6-4-2/h8,10,14H,3-7,9H2,1-2H3.
What are the key properties of N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 263.34 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 106719161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).