3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine

C14H21N3O2S — CID 116740708

IUPAC3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine
SMILESCCOC(C)(CC)c1noc(-c2cc(CC)sc2N)n1
InChIInChI=1S/C14H21N3O2S/c1-5-9-8-10(11(15)20-9)12-16-13(17-19-12)14(4,6-2)18-7-3/h8H,5-7,15H2,1-4H3
InChIKeyNLBMCVVGAHMROR-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.60
Rot. Bonds6

About 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine

3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine (PubChem CID 116740708) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine.

Molecular Properties

Compound Name3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine
PubChem CID116740708
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine
SMILESCCOC(C)(CC)c1noc(-c2cc(CC)sc2N)n1
InChIInChI=1S/C14H21N3O2S/c1-5-9-8-10(11(15)20-9)12-16-13(17-19-12)14(4,6-2)18-7-3/h8H,5-7,15H2,1-4H3
InChIKeyNLBMCVVGAHMROR-UHFFFAOYSA-N
XLogP3.60
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-6-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116740580
4-chloro-3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116740617
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886118
5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799523
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 116743995
5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631981
4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904536
5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106527356
5-ethyl-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103372920
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 116740710
5-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63615796
5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 116702712

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine?
The IUPAC name of 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine (CID 116740708) is 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine.
What is the SMILES notation for 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine?
The canonical SMILES for 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine is CCOC(C)(CC)c1noc(-c2cc(CC)sc2N)n1.
What is the InChIKey of 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine?
The InChIKey is NLBMCVVGAHMROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-5-9-8-10(11(15)20-9)12-16-13(17-19-12)14(4,6-2)18-7-3/h8H,5-7,15H2,1-4H3.
What are the key properties of 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine?
3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine has a molecular weight of 295.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine is sourced from PubChem (CID 116740708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).