5-(5-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine

C13H8ClFN2OS — CID 66198186

IUPAC5-(5-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Cl)ccc2F)c1-c1cccs1
InChIInChI=1S/C13H8ClFN2OS/c14-7-3-4-9(15)8(6-7)12-11(13(16)17-18-12)10-2-1-5-19-10/h1-6H,(H2,16,17)
InChIKeyUXMUUOJYNXXZSK-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.44
Rot. Bonds2

About 5-(5-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine

5-(5-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 66198186) has the molecular formula C13H8ClFN2OS and a molecular weight of 294.74 g/mol. Its IUPAC name is 5-(5-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID66198186
Molecular FormulaC13H8ClFN2OS
Molecular Weight294.74 g/mol
Exact Mass294.00
IUPAC Name5-(5-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Cl)ccc2F)c1-c1cccs1
InChIInChI=1S/C13H8ClFN2OS/c14-7-3-4-9(15)8(6-7)12-11(13(16)17-18-12)10-2-1-5-19-10/h1-6H,(H2,16,17)
InChIKeyUXMUUOJYNXXZSK-UHFFFAOYSA-N
XLogP4.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (CID 66198186) is 5-(5-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is Nc1noc(-c2cc(Cl)ccc2F)c1-c1cccs1.
What is the InChIKey of 5-(5-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is UXMUUOJYNXXZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2OS/c14-7-3-4-9(15)8(6-7)12-11(13(16)17-18-12)10-2-1-5-19-10/h1-6H,(H2,16,17).
What are the key properties of 5-(5-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
5-(5-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine has a molecular weight of 294.74 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66198186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).