4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine

C15H9BrClFN2O — CID 66200850

IUPAC4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2c(F)cccc2Cl)c1-c1cccc(Br)c1
InChIInChI=1S/C15H9BrClFN2O/c16-9-4-1-3-8(7-9)12-14(21-20-15(12)19)13-10(17)5-2-6-11(13)18/h1-7H,(H2,19,20)
InChIKeyUZCVCOLACVCLBE-UHFFFAOYSA-N
MW367.61 g/mol
LogP5.15
Rot. Bonds2

About 4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine

4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66200850) has the molecular formula C15H9BrClFN2O and a molecular weight of 367.61 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID66200850
Molecular FormulaC15H9BrClFN2O
Molecular Weight367.61 g/mol
Exact Mass365.96
IUPAC Name4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2c(F)cccc2Cl)c1-c1cccc(Br)c1
InChIInChI=1S/C15H9BrClFN2O/c16-9-4-1-3-8(7-9)12-14(21-20-15(12)19)13-10(17)5-2-6-11(13)18/h1-7H,(H2,19,20)
InChIKeyUZCVCOLACVCLBE-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

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Related Compounds

5-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66200268
4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198644
5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198577
5-(2-bromo-6-fluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 114561326
4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine
CID 66198052
5-(4-bromo-2-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66199777
4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 114823944
4-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66200908
5-(4-bromo-2-fluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198773
4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199849
5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66197900
4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
CID 66200303

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine (CID 66200850) is 4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2c(F)cccc2Cl)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is UZCVCOLACVCLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFN2O/c16-9-4-1-3-8(7-9)12-14(21-20-15(12)19)13-10(17)5-2-6-11(13)18/h1-7H,(H2,19,20).
What are the key properties of 4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine?
4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-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-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).