N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline

C15H21N3O — CID 78953796

IUPACN-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
SMILESCCCCc1noc(CCNc2ccccc2C)n1
InChIInChI=1S/C15H21N3O/c1-3-4-9-14-17-15(19-18-14)10-11-16-13-8-6-5-7-12(13)2/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyYAZNLFXCCGKLHO-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.38
Rot. Bonds7

About N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline

N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline (PubChem CID 78953796) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
PubChem CID78953796
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
SMILESCCCCc1noc(CCNc2ccccc2C)n1
InChIInChI=1S/C15H21N3O/c1-3-4-9-14-17-15(19-18-14)10-11-16-13-8-6-5-7-12(13)2/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyYAZNLFXCCGKLHO-UHFFFAOYSA-N
XLogP3.38
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline (CID 78953796) is N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline is CCCCc1noc(CCNc2ccccc2C)n1.
What is the InChIKey of N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline?
The InChIKey is YAZNLFXCCGKLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-4-9-14-17-15(19-18-14)10-11-16-13-8-6-5-7-12(13)2/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline?
N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline has a molecular weight of 259.35 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline is sourced from PubChem (CID 78953796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).