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

C8H15N3O — CID 62162393

IUPACN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1nnc(C)o1
InChIInChI=1S/C8H15N3O/c1-3-5-9-6-4-8-11-10-7(2)12-8/h9H,3-6H2,1-2H3
InChIKeyZVSLQJVFZIEHPP-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.92
Rot. Bonds5

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

N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine (PubChem CID 62162393) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
PubChem CID62162393
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1nnc(C)o1
InChIInChI=1S/C8H15N3O/c1-3-5-9-6-4-8-11-10-7(2)12-8/h9H,3-6H2,1-2H3
InChIKeyZVSLQJVFZIEHPP-UHFFFAOYSA-N
XLogP0.92
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.92
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

2-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 62163830
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 110320204
N-[2-[5-(4,5-dimethylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 65238569
N-[2-[5-(4-methylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 79807519
N-[2-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044206
N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 62139451
ethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110320280
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044396
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857
methyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110320279
N-[2-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044253
N-[2-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 63047197

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine (CID 62162393) is N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine is CCCNCCc1nnc(C)o1.
What is the InChIKey of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is ZVSLQJVFZIEHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-5-9-6-4-8-11-10-7(2)12-8/h9H,3-6H2,1-2H3.
What are the key properties of N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine?
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62162393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).