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

C11H12Cl2N4O2 — CID 79786407

IUPACN-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(-c2ncc(Cl)cc2Cl)no1
InChIInChI=1S/C11H12Cl2N4O2/c1-18-3-2-14-6-9-16-11(17-19-9)10-8(13)4-7(12)5-15-10/h4-5,14H,2-3,6H2,1H3
InChIKeyLCLOPQVIIXDCJV-UHFFFAOYSA-N
MW303.15 g/mol
LogP2.17
Rot. Bonds6

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

N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 79786407) has the molecular formula C11H12Cl2N4O2 and a molecular weight of 303.15 g/mol. Its IUPAC name is N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID79786407
Molecular FormulaC11H12Cl2N4O2
Molecular Weight303.15 g/mol
Exact Mass302.03
IUPAC NameN-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(-c2ncc(Cl)cc2Cl)no1
InChIInChI=1S/C11H12Cl2N4O2/c1-18-3-2-14-6-9-16-11(17-19-9)10-8(13)4-7(12)5-15-10/h4-5,14H,2-3,6H2,1H3
InChIKeyLCLOPQVIIXDCJV-UHFFFAOYSA-N
XLogP2.17
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79786155
N-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 63757774
1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 79780767
N-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 63757605
2-methoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60646666
1-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79845881
2-methoxy-N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63771663
N-[[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 137076816
2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63758119
N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 63758469
2-methoxy-N-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63758117
2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
CID 119947767

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine (CID 79786407) is N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1nc(-c2ncc(Cl)cc2Cl)no1.
What is the InChIKey of N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is LCLOPQVIIXDCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O2/c1-18-3-2-14-6-9-16-11(17-19-9)10-8(13)4-7(12)5-15-10/h4-5,14H,2-3,6H2,1H3.
What are the key properties of N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine?
N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 303.15 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 79786407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).