4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline

C15H21N3O — CID 54924497

IUPAC4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
SMILESCc1ccc(NCCc2nc(CC(C)C)no2)cc1
InChIInChI=1S/C15H21N3O/c1-11(2)10-14-17-15(19-18-14)8-9-16-13-6-4-12(3)5-7-13/h4-7,11,16H,8-10H2,1-3H3
InChIKeyPJKHKNDHSJJZDZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.23
Rot. Bonds6

About 4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline

4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline (PubChem CID 54924497) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
PubChem CID54924497
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
SMILESCc1ccc(NCCc2nc(CC(C)C)no2)cc1
InChIInChI=1S/C15H21N3O/c1-11(2)10-14-17-15(19-18-14)8-9-16-13-6-4-12(3)5-7-13/h4-7,11,16H,8-10H2,1-3H3
InChIKeyPJKHKNDHSJJZDZ-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 79954373
5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine
CID 65416617
4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline
CID 62722337
N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethoxy)aniline
CID 154834769
4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzonitrile
CID 134018323
N-methyl-2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 55061768
4-methyl-N-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 115528705
4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63348218
N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 53211498
1-(4-acetylphenyl)-3-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]urea
CID 47085390
N-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348217
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethylbenzoate
CID 55521981

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The IUPAC name of 4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline (CID 54924497) is 4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The canonical SMILES for 4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline is Cc1ccc(NCCc2nc(CC(C)C)no2)cc1.
What is the InChIKey of 4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
The InChIKey is PJKHKNDHSJJZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)10-14-17-15(19-18-14)8-9-16-13-6-4-12(3)5-7-13/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of 4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline?
4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline has a molecular weight of 259.35 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline is sourced from PubChem (CID 54924497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).