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

C11H15N5O — CID 106969561

IUPAC5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NCCc2ccncc2)o1
InChIInChI=1S/C11H15N5O/c1-12-8-10-15-16-11(17-10)14-7-4-9-2-5-13-6-3-9/h2-3,5-6,12H,4,7-8H2,1H3,(H,14,16)
InChIKeyGKOQEUTYGQFOHW-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.84
Rot. Bonds6

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

5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106969561) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106969561
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NCCc2ccncc2)o1
InChIInChI=1S/C11H15N5O/c1-12-8-10-15-16-11(17-10)14-7-4-9-2-5-13-6-3-9/h2-3,5-6,12H,4,7-8H2,1H3,(H,14,16)
InChIKeyGKOQEUTYGQFOHW-UHFFFAOYSA-N
XLogP0.84
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969563
5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969559
N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966531
5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106967245
5-(1-chloroethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106956807
5-[(tert-butylamino)methyl]-N-[2-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966361
5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine
CID 137335657
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970408
5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969194
5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967633
5-(ethylaminomethyl)-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969533
N-[(5-chlorothiophen-2-yl)methyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106962307

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine (CID 106969561) is 5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(NCCc2ccncc2)o1.
What is the InChIKey of 5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GKOQEUTYGQFOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-12-8-10-15-16-11(17-10)14-7-4-9-2-5-13-6-3-9/h2-3,5-6,12H,4,7-8H2,1H3,(H,14,16).
What are the key properties of 5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 233.28 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).