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

C15H19N3O — CID 64981815

IUPACN-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCc1nc(C2CCC2)no1
InChIInChI=1S/C15H19N3O/c1-11-5-2-3-8-13(11)16-10-9-14-17-15(18-19-14)12-6-4-7-12/h2-3,5,8,12,16H,4,6-7,9-10H2,1H3
InChIKeyNUNNXZCSYRLHTG-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.30
Rot. Bonds5

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

N-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline (PubChem CID 64981815) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
PubChem CID64981815
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCc1nc(C2CCC2)no1
InChIInChI=1S/C15H19N3O/c1-11-5-2-3-8-13(11)16-10-9-14-17-15(18-19-14)12-6-4-7-12/h2-3,5,8,12,16H,4,6-7,9-10H2,1H3
InChIKeyNUNNXZCSYRLHTG-UHFFFAOYSA-N
XLogP3.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 65403053
N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 60837266
N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 64981860
N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 78953796
2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104827059
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
CID 120862662
N-[2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]-2-methylaniline
CID 61339126
N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 63719237
N-[2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
CID 65130527
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,6-dimethylphenoxy)aniline
CID 71937113
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 54924305
N-[2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
CID 65137269

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline (CID 64981815) is N-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline is Cc1ccccc1NCCc1nc(C2CCC2)no1.
What is the InChIKey of N-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline?
The InChIKey is NUNNXZCSYRLHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-5-2-3-8-13(11)16-10-9-14-17-15(18-19-14)12-6-4-7-12/h2-3,5,8,12,16H,4,6-7,9-10H2,1H3.
What are the key properties of N-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline?
N-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline has a molecular weight of 257.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline is sourced from PubChem (CID 64981815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).