3-(2,3-dihydro-1-benzothiophen-7-yl)-1,2-oxazol-5-amine

C11H10N2OS — CID 117311103

IUPAC3-(2,3-dihydro-1-benzothiophen-7-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cccc3c2SCC3)no1
InChIInChI=1S/C11H10N2OS/c12-10-6-9(13-14-10)8-3-1-2-7-4-5-15-11(7)8/h1-3,6H,4-5,12H2
InChIKeyCLJXJLNJMUMMNW-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.57
Rot. Bonds1

About 3-(2,3-dihydro-1-benzothiophen-7-yl)-1,2-oxazol-5-amine

3-(2,3-dihydro-1-benzothiophen-7-yl)-1,2-oxazol-5-amine (PubChem CID 117311103) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-7-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-7-yl)-1,2-oxazol-5-amine
PubChem CID117311103
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name3-(2,3-dihydro-1-benzothiophen-7-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cccc3c2SCC3)no1
InChIInChI=1S/C11H10N2OS/c12-10-6-9(13-14-10)8-3-1-2-7-4-5-15-11(7)8/h1-3,6H,4-5,12H2
InChIKeyCLJXJLNJMUMMNW-UHFFFAOYSA-N
XLogP2.57
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-7-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-7-yl)-1,2-oxazol-5-amine (CID 117311103) is 3-(2,3-dihydro-1-benzothiophen-7-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-7-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-7-yl)-1,2-oxazol-5-amine is Nc1cc(-c2cccc3c2SCC3)no1.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-7-yl)-1,2-oxazol-5-amine?
The InChIKey is CLJXJLNJMUMMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c12-10-6-9(13-14-10)8-3-1-2-7-4-5-15-11(7)8/h1-3,6H,4-5,12H2.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-7-yl)-1,2-oxazol-5-amine?
3-(2,3-dihydro-1-benzothiophen-7-yl)-1,2-oxazol-5-amine has a molecular weight of 218.28 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-7-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117311103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).