N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

C11H14N4O2 — CID 106400363

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCOc1ncccc1CNCCc1ncno1
InChIInChI=1S/C11H14N4O2/c1-16-11-9(3-2-5-13-11)7-12-6-4-10-14-8-15-17-10/h2-3,5,8,12H,4,6-7H2,1H3
InChIKeyXTIAUSAYTXJELB-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.81
Rot. Bonds6

About N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 106400363) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID106400363
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCOc1ncccc1CNCCc1ncno1
InChIInChI=1S/C11H14N4O2/c1-16-11-9(3-2-5-13-11)7-12-6-4-10-14-8-15-17-10/h2-3,5,8,12H,4,6-7H2,1H3
InChIKeyXTIAUSAYTXJELB-UHFFFAOYSA-N
XLogP0.81
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenyl]acetate
CID 106400053
N-[(3-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400057
N-[(2-bromophenyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103744517
N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 21271684
N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine
CID 114333213
N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine
CID 63491513
4-methoxy-3-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzonitrile
CID 106399512
2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide
CID 114384819
4-[(2-methoxy-3-pyridinyl)methylamino]butanoic acid
CID 60859167
5-[(2-methoxy-3-pyridinyl)methylamino]pentan-2-ol
CID 106130584
1-(2-methoxy-3-pyridinyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 107914372
1-(2-methoxy-3-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 114180399

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 106400363) is N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is COc1ncccc1CNCCc1ncno1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is XTIAUSAYTXJELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-16-11-9(3-2-5-13-11)7-12-6-4-10-14-8-15-17-10/h2-3,5,8,12H,4,6-7H2,1H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 234.26 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 106400363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).