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

C13H8BrFN2OS — CID 66198356

IUPAC5-(5-bromothiophen-2-yl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Br)s2)c1-c1ccccc1F
InChIInChI=1S/C13H8BrFN2OS/c14-10-6-5-9(19-10)12-11(13(16)17-18-12)7-3-1-2-4-8(7)15/h1-6H,(H2,16,17)
InChIKeyUPSBZJQPNAXXJY-UHFFFAOYSA-N
MW339.19 g/mol
LogP4.55
Rot. Bonds2

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

5-(5-bromothiophen-2-yl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66198356) has the molecular formula C13H8BrFN2OS and a molecular weight of 339.19 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID66198356
Molecular FormulaC13H8BrFN2OS
Molecular Weight339.19 g/mol
Exact Mass337.95
IUPAC Name5-(5-bromothiophen-2-yl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Br)s2)c1-c1ccccc1F
InChIInChI=1S/C13H8BrFN2OS/c14-10-6-5-9(19-10)12-11(13(16)17-18-12)7-3-1-2-4-8(7)15/h1-6H,(H2,16,17)
InChIKeyUPSBZJQPNAXXJY-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 5-(5-bromothiophen-2-yl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-bromothiophen-2-yl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine (CID 66198356) is 5-(5-bromothiophen-2-yl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(Br)s2)c1-c1ccccc1F.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is UPSBZJQPNAXXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2OS/c14-10-6-5-9(19-10)12-11(13(16)17-18-12)7-3-1-2-4-8(7)15/h1-6H,(H2,16,17).
What are the key properties of 5-(5-bromothiophen-2-yl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
5-(5-bromothiophen-2-yl)-4-(2-fluorophenyl)-1,2-oxazol-3-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 5-(5-bromothiophen-2-yl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).