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

C13H8BrFN2OS — CID 55079453

IUPAC3-(4-bromo-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)cc2F)c1-c1cccs1
InChIInChI=1S/C13H8BrFN2OS/c14-7-3-4-8(9(15)6-7)12-11(13(16)18-17-12)10-2-1-5-19-10/h1-6H,16H2
InChIKeyOKUXPRZQLINTRO-UHFFFAOYSA-N
MW339.19 g/mol
LogP4.55
Rot. Bonds2

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

3-(4-bromo-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 55079453) has the molecular formula C13H8BrFN2OS and a molecular weight of 339.19 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID55079453
Molecular FormulaC13H8BrFN2OS
Molecular Weight339.19 g/mol
Exact Mass337.95
IUPAC Name3-(4-bromo-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)cc2F)c1-c1cccs1
InChIInChI=1S/C13H8BrFN2OS/c14-7-3-4-8(9(15)6-7)12-11(13(16)18-17-12)10-2-1-5-19-10/h1-6H,16H2
InChIKeyOKUXPRZQLINTRO-UHFFFAOYSA-N
XLogP4.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 55079453) is 3-(4-bromo-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Br)cc2F)c1-c1cccs1.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is OKUXPRZQLINTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2OS/c14-7-3-4-8(9(15)6-7)12-11(13(16)18-17-12)10-2-1-5-19-10/h1-6H,16H2.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-(4-bromo-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 339.19 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 55079453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).