5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile

C13H15N3O2S — CID 106527356

IUPAC5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
SMILESCCOC(C)(CC)c1noc(-c2ccc(C#N)s2)n1
InChIInChI=1S/C13H15N3O2S/c1-4-13(3,17-5-2)12-15-11(18-16-12)10-7-6-9(8-14)19-10/h6-7H,4-5H2,1-3H3
InChIKeyDRFJWVROEZCCFP-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.33
Rot. Bonds5

About 5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile

5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile (PubChem CID 106527356) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
PubChem CID106527356
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
SMILESCCOC(C)(CC)c1noc(-c2ccc(C#N)s2)n1
InChIInChI=1S/C13H15N3O2S/c1-4-13(3,17-5-2)12-15-11(18-16-12)10-7-6-9(8-14)19-10/h6-7H,4-5H2,1-3H3
InChIKeyDRFJWVROEZCCFP-UHFFFAOYSA-N
XLogP3.33
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile
CID 103734562
3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine
CID 116740708
4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904536
5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile
CID 103734590
4-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527236
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 116743995
4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751308
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886118
4-chloro-3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116740617
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 116740710
5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106527814
[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116740577

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The IUPAC name of 5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile (CID 106527356) is 5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile is CCOC(C)(CC)c1noc(-c2ccc(C#N)s2)n1.
What is the InChIKey of 5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The InChIKey is DRFJWVROEZCCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-4-13(3,17-5-2)12-15-11(18-16-12)10-7-6-9(8-14)19-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile has a molecular weight of 277.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 106527356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).