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

C13H16ClN3O2 — CID 63758469

IUPACN-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C13H16ClN3O2/c1-18-7-6-15-9-13-16-12(17-19-13)8-10-4-2-3-5-11(10)14/h2-5,15H,6-9H2,1H3
InChIKeyIFUHSKGPBRLKAD-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.05
Rot. Bonds7

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

N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 63758469) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID63758469
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C13H16ClN3O2/c1-18-7-6-15-9-13-16-12(17-19-13)8-10-4-2-3-5-11(10)14/h2-5,15H,6-9H2,1H3
InChIKeyIFUHSKGPBRLKAD-UHFFFAOYSA-N
XLogP2.05
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.05
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

1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 63349681
2-methoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60646666
N-[[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 120893530
(2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide
CID 120834323
1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349638
2-methoxy-N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63771663
2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
CID 119947767
N-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 63757774
N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 115954899
2-methoxy-N-[[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 66066618
2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63758119
2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336070

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine (CID 63758469) is N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1nc(Cc2ccccc2Cl)no1.
What is the InChIKey of N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is IFUHSKGPBRLKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-18-7-6-15-9-13-16-12(17-19-13)8-10-4-2-3-5-11(10)14/h2-5,15H,6-9H2,1H3.
What are the key properties of N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine?
N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 281.74 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63758469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).