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

C15H15N3O2S — CID 63614343

IUPAC5-ethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCCc1cc(-c2nc(COc3ccccc3)no2)c(N)s1
InChIInChI=1S/C15H15N3O2S/c1-2-11-8-12(14(16)21-11)15-17-13(18-20-15)9-19-10-6-4-3-5-7-10/h3-8H,2,9,16H2,1H3
InChIKeyQIDMKGBJBMNGRB-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.52
Rot. Bonds5

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

5-ethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 63614343) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-ethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-ethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID63614343
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name5-ethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCCc1cc(-c2nc(COc3ccccc3)no2)c(N)s1
InChIInChI=1S/C15H15N3O2S/c1-2-11-8-12(14(16)21-11)15-17-13(18-20-15)9-19-10-6-4-3-5-7-10/h3-8H,2,9,16H2,1H3
InChIKeyQIDMKGBJBMNGRB-UHFFFAOYSA-N
XLogP3.52
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-ethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 63614343) is 5-ethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-ethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-ethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is CCc1cc(-c2nc(COc3ccccc3)no2)c(N)s1.
What is the InChIKey of 5-ethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is QIDMKGBJBMNGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-11-8-12(14(16)21-11)15-17-13(18-20-15)9-19-10-6-4-3-5-7-10/h3-8H,2,9,16H2,1H3.
What are the key properties of 5-ethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-ethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 301.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 63614343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).