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

C11H11Cl2N3O — CID 106395947

IUPACN-[(2,5-dichlorophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESClc1ccc(Cl)c(CNCCc2ncon2)c1
InChIInChI=1S/C11H11Cl2N3O/c12-9-1-2-10(13)8(5-9)6-14-4-3-11-15-7-17-16-11/h1-2,5,7,14H,3-4,6H2
InChIKeyVKCRDMHVSHVCTB-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.71
Rot. Bonds5

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

N-[(2,5-dichlorophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 106395947) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID106395947
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESClc1ccc(Cl)c(CNCCc2ncon2)c1
InChIInChI=1S/C11H11Cl2N3O/c12-9-1-2-10(13)8(5-9)6-14-4-3-11-15-7-17-16-11/h1-2,5,7,14H,3-4,6H2
InChIKeyVKCRDMHVSHVCTB-UHFFFAOYSA-N
XLogP2.71
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183418
N-[(3-chloro-4-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400953
N-[(2,5-dimethylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183364
N-[(5-fluoro-2-methylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183458
N-[(2,5-dichlorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103845009
N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396500
1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol
CID 106401068
N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine
CID 65315812
N-[(2,4-dimethoxyphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396479
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
1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393758

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (CID 106395947) is N-[(2,5-dichlorophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is Clc1ccc(Cl)c(CNCCc2ncon2)c1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is VKCRDMHVSHVCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c12-9-1-2-10(13)8(5-9)6-14-4-3-11-15-7-17-16-11/h1-2,5,7,14H,3-4,6H2.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
N-[(2,5-dichlorophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 272.13 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 106395947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).