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

C16H12BrFN2O — CID 66198095

IUPAC5-(4-bromo-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccccc1-c1c(N)noc1-c1ccc(Br)c(F)c1
InChIInChI=1S/C16H12BrFN2O/c1-9-4-2-3-5-11(9)14-15(21-20-16(14)19)10-6-7-12(17)13(18)8-10/h2-8H,1H3,(H2,19,20)
InChIKeyCBHKWVMDVPQRNY-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.80
Rot. Bonds2

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

5-(4-bromo-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66198095) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is 5-(4-bromo-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-bromo-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66198095
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name5-(4-bromo-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccccc1-c1c(N)noc1-c1ccc(Br)c(F)c1
InChIInChI=1S/C16H12BrFN2O/c1-9-4-2-3-5-11(9)14-15(21-20-16(14)19)10-6-7-12(17)13(18)8-10/h2-8H,1H3,(H2,19,20)
InChIKeyCBHKWVMDVPQRNY-UHFFFAOYSA-N
XLogP4.80
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromo-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-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 5-(4-bromo-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-bromo-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine (CID 66198095) is 5-(4-bromo-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-bromo-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-bromo-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine is Cc1ccccc1-c1c(N)noc1-c1ccc(Br)c(F)c1.
What is the InChIKey of 5-(4-bromo-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is CBHKWVMDVPQRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-9-4-2-3-5-11(9)14-15(21-20-16(14)19)10-6-7-12(17)13(18)8-10/h2-8H,1H3,(H2,19,20).
What are the key properties of 5-(4-bromo-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
5-(4-bromo-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 347.19 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).