2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine

C14H13N3O2S — CID 115533010

IUPAC2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESCCOc1ccccc1-c1noc(-c2sccc2N)n1
InChIInChI=1S/C14H13N3O2S/c1-2-18-11-6-4-3-5-9(11)13-16-14(19-17-13)12-10(15)7-8-20-12/h3-8H,2,15H2,1H3
InChIKeyIOLHISHOJWSMPD-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.45
Rot. Bonds4

About 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine

2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine (PubChem CID 115533010) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine.

Molecular Properties

Compound Name2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
PubChem CID115533010
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESCCOc1ccccc1-c1noc(-c2sccc2N)n1
InChIInChI=1S/C14H13N3O2S/c1-2-18-11-6-4-3-5-9(11)13-16-14(19-17-13)12-10(15)7-8-20-12/h3-8H,2,15H2,1H3
InChIKeyIOLHISHOJWSMPD-UHFFFAOYSA-N
XLogP3.45
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330739
5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 115533139
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 115534402
3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069225
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 115279651
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115533112
2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 116740355
5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 115534543
3-(2-ethoxyphenyl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 7470734
3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115534479
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 65130994

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The IUPAC name of 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine (CID 115533010) is 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine.
What is the SMILES notation for 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The canonical SMILES for 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine is CCOc1ccccc1-c1noc(-c2sccc2N)n1.
What is the InChIKey of 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The InChIKey is IOLHISHOJWSMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-2-18-11-6-4-3-5-9(11)13-16-14(19-17-13)12-10(15)7-8-20-12/h3-8H,2,15H2,1H3.
What are the key properties of 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine has a molecular weight of 287.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine is sourced from PubChem (CID 115533010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).