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

C11H14N4O — CID 106400344

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine
SMILESc1ccc(CCNCCc2ncno2)nc1
InChIInChI=1S/C11H14N4O/c1-2-6-13-10(3-1)4-7-12-8-5-11-14-9-15-16-11/h1-3,6,9,12H,4-5,7-8H2
InChIKeyROTXWVNXCWETAN-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.84
Rot. Bonds6

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

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine (PubChem CID 106400344) 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]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine
PubChem CID106400344
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine
SMILESc1ccc(CCNCCc2ncno2)nc1
InChIInChI=1S/C11H14N4O/c1-2-6-13-10(3-1)4-7-12-8-5-11-14-9-15-16-11/h1-3,6,9,12H,4-5,7-8H2
InChIKeyROTXWVNXCWETAN-UHFFFAOYSA-N
XLogP0.84
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2,4-oxadiazol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 106395144
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
N-[(3-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400057
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
N-[(2-bromophenyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103744517
N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400363
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
CID 106399744
2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758203
4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399868
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine
CID 106393561

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine (CID 106400344) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine is c1ccc(CCNCCc2ncno2)nc1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine?
The InChIKey is ROTXWVNXCWETAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-6-13-10(3-1)4-7-12-8-5-11-14-9-15-16-11/h1-3,6,9,12H,4-5,7-8H2.
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine has a molecular weight of 218.26 g/mol, XLogP of 0.84, 6 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]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 106400344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).