N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine

C11H13N3O — CID 106396500

IUPACN-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESc1ccc(CNCCc2ncon2)cc1
InChIInChI=1S/C11H13N3O/c1-2-4-10(5-3-1)8-12-7-6-11-13-9-15-14-11/h1-5,9,12H,6-8H2
InChIKeyYFOKGYHUAKTAPE-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.40
Rot. Bonds5

About N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine

N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 106396500) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID106396500
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESc1ccc(CNCCc2ncon2)cc1
InChIInChI=1S/C11H13N3O/c1-2-4-10(5-3-1)8-12-7-6-11-13-9-15-14-11/h1-5,9,12H,6-8H2
InChIKeyYFOKGYHUAKTAPE-UHFFFAOYSA-N
XLogP1.40
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.40
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

2-(1,2,4-oxadiazol-3-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 106395418
N-[(4-nitrophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395819
2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]benzoic acid
CID 106402027
N-(furan-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396669
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine
CID 106392234
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 114184065
N-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395909
N-[[4-(3-methylbutoxy)phenyl]methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396362
N-(1-benzofuran-3-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183475
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395442
N-[(2-nitrophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183485
2-(1,2,4-oxadiazol-3-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 106396039

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine (CID 106396500) is N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine is c1ccc(CNCCc2ncon2)cc1.
What is the InChIKey of N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is YFOKGYHUAKTAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-4-10(5-3-1)8-12-7-6-11-13-9-15-14-11/h1-5,9,12H,6-8H2.
What are the key properties of N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine?
N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 203.25 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 106396500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).