2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine

C15H21N3O — CID 55221452

IUPAC2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C15H21N3O/c1-4-13(16-3)11(2)15-17-14(18-19-15)10-12-8-6-5-7-9-12/h5-9,11,13,16H,4,10H2,1-3H3
InChIKeyNLSSEUUGPXQVFG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.76
Rot. Bonds6

About 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine

2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine (PubChem CID 55221452) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine.

Molecular Properties

Compound Name2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
PubChem CID55221452
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C15H21N3O/c1-4-13(16-3)11(2)15-17-14(18-19-15)10-12-8-6-5-7-9-12/h5-9,11,13,16H,4,10H2,1-3H3
InChIKeyNLSSEUUGPXQVFG-UHFFFAOYSA-N
XLogP2.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347609
N-methyl-2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63559720
N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63561258
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid
CID 103500383
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol
CID 63744232
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 119138999
2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 79412396
N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63561260
N-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63562028
2-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 114212156
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 63559733
3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 63347742

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine?
The IUPAC name of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine (CID 55221452) is 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine.
What is the SMILES notation for 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine?
The canonical SMILES for 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine is CCC(NC)C(C)c1nc(Cc2ccccc2)no1.
What is the InChIKey of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine?
The InChIKey is NLSSEUUGPXQVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-13(16-3)11(2)15-17-14(18-19-15)10-12-8-6-5-7-9-12/h5-9,11,13,16H,4,10H2,1-3H3.
What are the key properties of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine?
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine has a molecular weight of 259.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine is sourced from PubChem (CID 55221452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).