5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine

C13H19N5O — CID 106969563

IUPAC5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NCCc2ccncc2)o1
InChIInChI=1S/C13H19N5O/c1-2-6-15-10-12-17-18-13(19-12)16-9-5-11-3-7-14-8-4-11/h3-4,7-8,15H,2,5-6,9-10H2,1H3,(H,16,18)
InChIKeyPUVXEBQVIMUZRM-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.62
Rot. Bonds8

About 5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine

5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106969563) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106969563
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NCCc2ccncc2)o1
InChIInChI=1S/C13H19N5O/c1-2-6-15-10-12-17-18-13(19-12)16-9-5-11-3-7-14-8-4-11/h3-4,7-8,15H,2,5-6,9-10H2,1H3,(H,16,18)
InChIKeyPUVXEBQVIMUZRM-UHFFFAOYSA-N
XLogP1.62
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969561
5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969559
N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968331
N-[2-(4-fluoro-2-methylphenyl)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106963148
N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969613
5-(ethylaminomethyl)-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969533
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970408
2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide
CID 106969077
5-(1-chloroethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106956807
N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964337
5-[(tert-butylamino)methyl]-N-[2-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966361
N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966531

Frequently Asked Questions

What is the IUPAC name of 5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine (CID 106969563) is 5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine is CCCNCc1nnc(NCCc2ccncc2)o1.
What is the InChIKey of 5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PUVXEBQVIMUZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-6-15-10-12-17-18-13(19-12)16-9-5-11-3-7-14-8-4-11/h3-4,7-8,15H,2,5-6,9-10H2,1H3,(H,16,18).
What are the key properties of 5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 261.33 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).