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

C15H21N3O — CID 63348432

IUPAC1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(N)Cc1nc(-c2ccc(CC)cc2)no1
InChIInChI=1S/C15H21N3O/c1-3-5-13(16)10-14-17-15(18-19-14)12-8-6-11(4-2)7-9-12/h6-9,13H,3-5,10,16H2,1-2H3
InChIKeySGQBHIKNVMTJQA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.97
Rot. Bonds6

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

1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 63348432) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID63348432
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(N)Cc1nc(-c2ccc(CC)cc2)no1
InChIInChI=1S/C15H21N3O/c1-3-5-13(16)10-14-17-15(18-19-14)12-8-6-11(4-2)7-9-12/h6-9,13H,3-5,10,16H2,1-2H3
InChIKeySGQBHIKNVMTJQA-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 107917796
1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348856
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64673410
5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 154661009
1-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 136984384
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350731
1-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 107280243
(1S)-1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine;hydrochloride
CID 119999979
ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474427
5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole
CID 60984935
1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63347983
3-(4-ethylphenyl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 47039399

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 63348432) is 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(N)Cc1nc(-c2ccc(CC)cc2)no1.
What is the InChIKey of 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is SGQBHIKNVMTJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-5-13(16)10-14-17-15(18-19-14)12-8-6-11(4-2)7-9-12/h6-9,13H,3-5,10,16H2,1-2H3.
What are the key properties of 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 63348432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).