1-phenyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine

C15H15N3OS — CID 62502858

IUPAC1-phenyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)(c1ccccc1)c1nc(Cc2cccs2)no1
InChIInChI=1S/C15H15N3OS/c1-15(16,11-6-3-2-4-7-11)14-17-13(18-19-14)10-12-8-5-9-20-12/h2-9H,10,16H2,1H3
InChIKeyZWLJYWWEZGETJA-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.94
Rot. Bonds4

About 1-phenyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine

1-phenyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 62502858) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-phenyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-phenyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID62502858
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-phenyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)(c1ccccc1)c1nc(Cc2cccs2)no1
InChIInChI=1S/C15H15N3OS/c1-15(16,11-6-3-2-4-7-11)14-17-13(18-19-14)10-12-8-5-9-20-12/h2-9H,10,16H2,1H3
InChIKeyZWLJYWWEZGETJA-UHFFFAOYSA-N
XLogP2.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-phenyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 62502858) is 1-phenyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-phenyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-phenyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is CC(N)(c1ccccc1)c1nc(Cc2cccs2)no1.
What is the InChIKey of 1-phenyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is ZWLJYWWEZGETJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-15(16,11-6-3-2-4-7-11)14-17-13(18-19-14)10-12-8-5-9-20-12/h2-9H,10,16H2,1H3.
What are the key properties of 1-phenyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-phenyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 285.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 62502858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).