4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C15H21N3O — CID 104685798

IUPAC4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCc1ccc(-c2noc(C(C)CCCN)n2)cc1
InChIInChI=1S/C15H21N3O/c1-3-12-6-8-13(9-7-12)14-17-15(19-18-14)11(2)5-4-10-16/h6-9,11H,3-5,10,16H2,1-2H3
InChIKeyQVKFNPXQYQVSJT-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.14
Rot. Bonds6

About 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 104685798) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID104685798
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCc1ccc(-c2noc(C(C)CCCN)n2)cc1
InChIInChI=1S/C15H21N3O/c1-3-12-6-8-13(9-7-12)14-17-15(19-18-14)11(2)5-4-10-16/h6-9,11H,3-5,10,16H2,1-2H3
InChIKeyQVKFNPXQYQVSJT-UHFFFAOYSA-N
XLogP3.14
TPSA64.94 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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685787
4-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685792
4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685803
4-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107502115
(1S)-1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine;hydrochloride
CID 119999979
3-(4-ethylphenyl)-5-[(1R)-1-methylsulfonylethyl]-1,2,4-oxadiazole
CID 99827635
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106523542
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685789
(1R)-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentane-1,5-diamine;dihydrochloride
CID 170355270
4-[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107537285
(1S)-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propane-1,3-diamine;dihydrochloride
CID 170355361
4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103083344

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 104685798) is 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCc1ccc(-c2noc(C(C)CCCN)n2)cc1.
What is the InChIKey of 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is QVKFNPXQYQVSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-12-6-8-13(9-7-12)14-17-15(19-18-14)11(2)5-4-10-16/h6-9,11H,3-5,10,16H2,1-2H3.
What are the key properties of 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 104685798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).