5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine

C12H7F3N2OS — CID 115109928

IUPAC5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc3cc(C(F)(F)F)ccc3s2)on1
InChIInChI=1S/C12H7F3N2OS/c13-12(14,15)7-1-2-9-6(3-7)4-10(19-9)8-5-11(16)17-18-8/h1-5H,(H2,16,17)
InChIKeyJSKZVOBVDOCKGU-UHFFFAOYSA-N
MW284.26 g/mol
LogP4.16
Rot. Bonds1

About 5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine

5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine (PubChem CID 115109928) has the molecular formula C12H7F3N2OS and a molecular weight of 284.26 g/mol. Its IUPAC name is 5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine
PubChem CID115109928
Molecular FormulaC12H7F3N2OS
Molecular Weight284.26 g/mol
Exact Mass284.02
IUPAC Name5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc3cc(C(F)(F)F)ccc3s2)on1
InChIInChI=1S/C12H7F3N2OS/c13-12(14,15)7-1-2-9-6(3-7)4-10(19-9)8-5-11(16)17-18-8/h1-5H,(H2,16,17)
InChIKeyJSKZVOBVDOCKGU-UHFFFAOYSA-N
XLogP4.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine (CID 115109928) is 5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine is Nc1cc(-c2cc3cc(C(F)(F)F)ccc3s2)on1.
What is the InChIKey of 5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine?
The InChIKey is JSKZVOBVDOCKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2OS/c13-12(14,15)7-1-2-9-6(3-7)4-10(19-9)8-5-11(16)17-18-8/h1-5H,(H2,16,17).
What are the key properties of 5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine?
5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine has a molecular weight of 284.26 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazol-3-amine is sourced from PubChem (CID 115109928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).