N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine

C11H14N4O — CID 106394975

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(NCCc1ncno1)c1ccncc1
InChIInChI=1S/C11H14N4O/c1-9(10-2-5-12-6-3-10)13-7-4-11-14-8-15-16-11/h2-3,5-6,8-9,13H,4,7H2,1H3
InChIKeySTPXETMRLFUCIX-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.36
Rot. Bonds5

About N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine (PubChem CID 106394975) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
PubChem CID106394975
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(NCCc1ncno1)c1ccncc1
InChIInChI=1S/C11H14N4O/c1-9(10-2-5-12-6-3-10)13-7-4-11-14-8-15-16-11/h2-3,5-6,8-9,13H,4,7H2,1H3
InChIKeySTPXETMRLFUCIX-UHFFFAOYSA-N
XLogP1.36
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol
CID 114183269
1-(3-chloro-4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106394868
1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106394173
3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine
CID 106394842
N-[2-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43515507
1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 114183185
1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 43195171
N-cyclopropyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanamide
CID 106400101
(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406260
(1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine
CID 104863435
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54943643

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine (CID 106394975) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine is CC(NCCc1ncno1)c1ccncc1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine?
The InChIKey is STPXETMRLFUCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-9(10-2-5-12-6-3-10)13-7-4-11-14-8-15-16-11/h2-3,5-6,8-9,13H,4,7H2,1H3.
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine has a molecular weight of 218.26 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 106394975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).