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

C15H9BrClFN2O — CID 82878283

IUPAC4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(F)c(Cl)c2)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H9BrClFN2O/c16-10-4-1-8(2-5-10)13-14(21-20-15(13)19)9-3-6-12(18)11(17)7-9/h1-7H,(H2,19,20)
InChIKeyHTPJUXYGRABIKB-UHFFFAOYSA-N
MW367.61 g/mol
LogP5.15
Rot. Bonds2

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

4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 82878283) has the molecular formula C15H9BrClFN2O and a molecular weight of 367.61 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID82878283
Molecular FormulaC15H9BrClFN2O
Molecular Weight367.61 g/mol
Exact Mass365.96
IUPAC Name4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(F)c(Cl)c2)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H9BrClFN2O/c16-10-4-1-8(2-5-10)13-14(21-20-15(13)19)9-3-6-12(18)11(17)7-9/h1-7H,(H2,19,20)
InChIKeyHTPJUXYGRABIKB-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine (CID 82878283) is 4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(F)c(Cl)c2)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is HTPJUXYGRABIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFN2O/c16-10-4-1-8(2-5-10)13-14(21-20-15(13)19)9-3-6-12(18)11(17)7-9/h1-7H,(H2,19,20).
What are the key properties of 4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine?
4-(4-bromophenyl)-5-(3-chloro-4-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-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 82878283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).