N-benzyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine

C12H15N3O — CID 130804864

IUPACN-benzyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1nc(C(C)NCc2ccccc2)no1
InChIInChI=1S/C12H15N3O/c1-9(12-14-10(2)16-15-12)13-8-11-6-4-3-5-7-11/h3-7,9,13H,8H2,1-2H3
InChIKeyBKLFMJAXEBQDKC-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.23
Rot. Bonds4

About N-benzyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine

N-benzyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 130804864) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-benzyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID130804864
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-benzyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1nc(C(C)NCc2ccccc2)no1
InChIInChI=1S/C12H15N3O/c1-9(12-14-10(2)16-15-12)13-8-11-6-4-3-5-7-11/h3-7,9,13H,8H2,1-2H3
InChIKeyBKLFMJAXEBQDKC-UHFFFAOYSA-N
XLogP2.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 130841233
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 114015027
(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 107911793
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
(1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103916398
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
N-benzyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43177533
N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 107911441
5-methyl-3-propan-2-yl-1,2,4-oxadiazole
CID 18785175
(1S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 107911783
1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103913111
N-benzyl-1-silylethanamine
CID 173405128

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-benzyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (CID 130804864) is N-benzyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-benzyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-benzyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is Cc1nc(C(C)NCc2ccccc2)no1.
What is the InChIKey of N-benzyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is BKLFMJAXEBQDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(12-14-10(2)16-15-12)13-8-11-6-4-3-5-7-11/h3-7,9,13H,8H2,1-2H3.
What are the key properties of N-benzyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
N-benzyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 217.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 130804864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).