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

C13H8ClFN2OS — CID 82808433

IUPAC4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccs2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C13H8ClFN2OS/c14-8-4-1-3-7(11(8)15)10-12(18-17-13(10)16)9-5-2-6-19-9/h1-6H,(H2,16,17)
InChIKeyZASZKKHUJSFAKM-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.44
Rot. Bonds2

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

4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 82808433) has the molecular formula C13H8ClFN2OS and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID82808433
Molecular FormulaC13H8ClFN2OS
Molecular Weight294.74 g/mol
Exact Mass294.00
IUPAC Name4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccs2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C13H8ClFN2OS/c14-8-4-1-3-7(11(8)15)10-12(18-17-13(10)16)9-5-2-6-19-9/h1-6H,(H2,16,17)
InChIKeyZASZKKHUJSFAKM-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 4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine (CID 82808433) is 4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine is Nc1noc(-c2cccs2)c1-c1cccc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is ZASZKKHUJSFAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2OS/c14-8-4-1-3-7(11(8)15)10-12(18-17-13(10)16)9-5-2-6-19-9/h1-6H,(H2,16,17).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine?
4-(3-chloro-2-fluorophenyl)-5-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 4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 82808433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).