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

C14H17N3OS — CID 80620615

IUPAC2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCC(c1ccccc1)c1nc(C2CCCS2)no1
InChIInChI=1S/C14H17N3OS/c15-9-11(10-5-2-1-3-6-10)14-16-13(17-18-14)12-7-4-8-19-12/h1-3,5-6,11-12H,4,7-9,15H2
InChIKeyIOLOXROWFOJQME-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.73
Rot. Bonds4

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

2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 80620615) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID80620615
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCC(c1ccccc1)c1nc(C2CCCS2)no1
InChIInChI=1S/C14H17N3OS/c15-9-11(10-5-2-1-3-6-10)14-16-13(17-18-14)12-7-4-8-19-12/h1-3,5-6,11-12H,4,7-9,15H2
InChIKeyIOLOXROWFOJQME-UHFFFAOYSA-N
XLogP2.73
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 80620615) is 2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is NCC(c1ccccc1)c1nc(C2CCCS2)no1.
What is the InChIKey of 2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is IOLOXROWFOJQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c15-9-11(10-5-2-1-3-6-10)14-16-13(17-18-14)12-7-4-8-19-12/h1-3,5-6,11-12H,4,7-9,15H2.
What are the key properties of 2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 275.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 80620615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).