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

C15H9BrClFN2O — CID 81454071

IUPAC4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2cccc(F)c2Cl)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H9BrClFN2O/c16-9-6-4-8(5-7-9)12-14(20-21-15(12)19)10-2-1-3-11(18)13(10)17/h1-7H,19H2
InChIKeyQAXIBBAPZUONLT-UHFFFAOYSA-N
MW367.61 g/mol
LogP5.15
Rot. Bonds2

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

4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 81454071) has the molecular formula C15H9BrClFN2O and a molecular weight of 367.61 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID81454071
Molecular FormulaC15H9BrClFN2O
Molecular Weight367.61 g/mol
Exact Mass365.96
IUPAC Name4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2cccc(F)c2Cl)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H9BrClFN2O/c16-9-6-4-8(5-7-9)12-14(20-21-15(12)19)10-2-1-3-11(18)13(10)17/h1-7H,19H2
InChIKeyQAXIBBAPZUONLT-UHFFFAOYSA-N
XLogP5.15
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.61
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromophenyl)-3-(2-chloro-3-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

Related Compounds

3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 43335687
3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine
CID 107982866
4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine
CID 106687946
4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560892
3-(2,3-dichlorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335737
4-(3-bromophenyl)-3-(5-chloro-2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560930
3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine
CID 81454075
4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine
CID 114552823
3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43335899
3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 107982868
3-(3-bromo-5-chlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107955314
4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 43335828

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine (CID 81454071) is 4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2cccc(F)c2Cl)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is QAXIBBAPZUONLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFN2O/c16-9-6-4-8(5-7-9)12-14(20-21-15(12)19)10-2-1-3-11(18)13(10)17/h1-7H,19H2.
What are the key properties of 4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine?
4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 367.61 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 81454071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).