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

C14H9BrClFN2OS — CID 79977841

IUPAC3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2ccc(F)cc2Cl)sc1Br
InChIInChI=1S/C14H9BrClFN2OS/c1-6-4-10(21-13(6)15)12-11(14(18)20-19-12)8-3-2-7(17)5-9(8)16/h2-5H,18H2,1H3
InChIKeyNXTSUMZRODJQOC-UHFFFAOYSA-N
MW387.66 g/mol
LogP5.52
Rot. Bonds2

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

3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 79977841) has the molecular formula C14H9BrClFN2OS and a molecular weight of 387.66 g/mol. Its IUPAC name is 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID79977841
Molecular FormulaC14H9BrClFN2OS
Molecular Weight387.66 g/mol
Exact Mass385.93
IUPAC Name3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2ccc(F)cc2Cl)sc1Br
InChIInChI=1S/C14H9BrClFN2OS/c1-6-4-10(21-13(6)15)12-11(14(18)20-19-12)8-3-2-7(17)5-9(8)16/h2-5H,18H2,1H3
InChIKeyNXTSUMZRODJQOC-UHFFFAOYSA-N
XLogP5.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.66
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine (CID 79977841) is 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine is Cc1cc(-c2noc(N)c2-c2ccc(F)cc2Cl)sc1Br.
What is the InChIKey of 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is NXTSUMZRODJQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2OS/c1-6-4-10(21-13(6)15)12-11(14(18)20-19-12)8-3-2-7(17)5-9(8)16/h2-5H,18H2,1H3.
What are the key properties of 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine?
3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 387.66 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 79977841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).