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

C10H11ClN4O — CID 106400953

IUPACN-[(3-chloro-4-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESClc1cnccc1CNCCc1ncon1
InChIInChI=1S/C10H11ClN4O/c11-9-6-13-3-1-8(9)5-12-4-2-10-14-7-16-15-10/h1,3,6-7,12H,2,4-5H2
InChIKeyIDOQJAWWXMTTQT-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.45
Rot. Bonds5

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

N-[(3-chloro-4-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 106400953) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID106400953
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC NameN-[(3-chloro-4-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESClc1cnccc1CNCCc1ncon1
InChIInChI=1S/C10H11ClN4O/c11-9-6-13-3-1-8(9)5-12-4-2-10-14-7-16-15-10/h1,3,6-7,12H,2,4-5H2
InChIKeyIDOQJAWWXMTTQT-UHFFFAOYSA-N
XLogP1.45
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.45
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

N-[(2,5-dichlorophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395947
2-(1,2,4-oxadiazol-3-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 106395418
2-(1,2,4-oxadiazol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 114183344
N-[(2,5-dimethylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183364
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183418
N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396500
5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine
CID 107319957
N-[(5-fluoro-2-methylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183458
2-(5-bromothiophen-2-yl)-N-[(3-chloro-4-pyridinyl)methyl]ethanamine
CID 114140449
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 106399917
N-(1-benzofuran-3-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183475
N-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396669

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(3-chloro-4-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (CID 106400953) is N-[(3-chloro-4-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is Clc1cnccc1CNCCc1ncon1.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is IDOQJAWWXMTTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c11-9-6-13-3-1-8(9)5-12-4-2-10-14-7-16-15-10/h1,3,6-7,12H,2,4-5H2.
What are the key properties of N-[(3-chloro-4-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
N-[(3-chloro-4-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 238.68 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 106400953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).