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

C15H9BrCl2N2O — CID 66198321

IUPAC4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H9BrCl2N2O/c16-10-4-1-8(2-5-10)13-14(21-20-15(13)19)9-3-6-11(17)12(18)7-9/h1-7H,(H2,19,20)
InChIKeyAKCLTOWJYXEZKJ-UHFFFAOYSA-N
MW384.06 g/mol
LogP5.66
Rot. Bonds2

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

4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine (PubChem CID 66198321) has the molecular formula C15H9BrCl2N2O and a molecular weight of 384.06 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
PubChem CID66198321
Molecular FormulaC15H9BrCl2N2O
Molecular Weight384.06 g/mol
Exact Mass381.93
IUPAC Name4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H9BrCl2N2O/c16-10-4-1-8(2-5-10)13-14(21-20-15(13)19)9-3-6-11(17)12(18)7-9/h1-7H,(H2,19,20)
InChIKeyAKCLTOWJYXEZKJ-UHFFFAOYSA-N
XLogP5.66
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.06
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-Dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66198160
3-(4-Bromophenyl)-4-chlore-5-(4-chlorophenyl)-isoxazole
CID 129656528
4-(3-Chlorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-3-amine
CID 66197899
5-(5-Chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66197900
4-(3-Chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 66197902
5-(3-Bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66197904
4-(4-Bromophenyl)-5-(2,5-difluorophenyl)-1,2-oxazol-3-amine
CID 66197924
5-(5-Bromo-2-fluorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66197933
5-(3,4-Dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66197964
5-(4-Bromo-3-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66198095
4-(4-Bromophenyl)-5-(4-chloro-2-fluorophenyl)-1,2-oxazol-3-amine
CID 66198121
5-(2-Bromo-5-fluorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine
CID 66198124

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine (CID 66198321) is 4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is AKCLTOWJYXEZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2O/c16-10-4-1-8(2-5-10)13-14(21-20-15(13)19)9-3-6-11(17)12(18)7-9/h1-7H,(H2,19,20).
What are the key properties of 4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine?
4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine has a molecular weight of 384.06 g/mol, XLogP of 5.66, 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-(3,4-dichlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).