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

C13H7BrClFN2OS — CID 66199685

IUPAC5-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Br)s2)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H7BrClFN2OS/c14-10-4-3-9(20-10)12-11(13(17)18-19-12)7-2-1-6(16)5-8(7)15/h1-5H,(H2,17,18)
InChIKeyYGMTVEUSLSXAQF-UHFFFAOYSA-N
MW373.63 g/mol
LogP5.21
Rot. Bonds2

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

5-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66199685) has the molecular formula C13H7BrClFN2OS and a molecular weight of 373.63 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID66199685
Molecular FormulaC13H7BrClFN2OS
Molecular Weight373.63 g/mol
Exact Mass371.91
IUPAC Name5-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Br)s2)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H7BrClFN2OS/c14-10-4-3-9(20-10)12-11(13(17)18-19-12)7-2-1-6(16)5-8(7)15/h1-5H,(H2,17,18)
InChIKeyYGMTVEUSLSXAQF-UHFFFAOYSA-N
XLogP5.21
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.63
LogP ≤ 55.21
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-chloro-4-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine (CID 66199685) is 5-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(Br)s2)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is YGMTVEUSLSXAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2OS/c14-10-4-3-9(20-10)12-11(13(17)18-19-12)7-2-1-6(16)5-8(7)15/h1-5H,(H2,17,18).
What are the key properties of 5-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine?
5-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 373.63 g/mol, XLogP of 5.21, 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-chloro-4-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).