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

C16H12BrFN2O — CID 66198471

IUPAC5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2-c2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H12BrFN2O/c1-9-2-4-10(5-3-9)14-15(21-20-16(14)19)12-8-11(17)6-7-13(12)18/h2-8H,1H3,(H2,19,20)
InChIKeyWJECSQVSLYQGJN-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.80
Rot. Bonds2

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

5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66198471) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66198471
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2-c2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H12BrFN2O/c1-9-2-4-10(5-3-9)14-15(21-20-16(14)19)12-8-11(17)6-7-13(12)18/h2-8H,1H3,(H2,19,20)
InChIKeyWJECSQVSLYQGJN-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-(5-bromo-2-fluorophenyl)-4-(4-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

Related Compounds

5-(4-chloro-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66200871
5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66199070
4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine
CID 82879782
4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 66199515
4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 82878283
5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198080
5-(4-bromo-2-fluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198773
5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 107954873
5-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66200268
5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66197900
5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
CID 107984272
5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine
CID 107954796

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine (CID 66198471) is 5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine is Cc1ccc(-c2c(N)noc2-c2cc(Br)ccc2F)cc1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is WJECSQVSLYQGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-9-2-4-10(5-3-9)14-15(21-20-16(14)19)12-8-11(17)6-7-13(12)18/h2-8H,1H3,(H2,19,20).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
5-(5-bromo-2-fluorophenyl)-4-(4-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-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).