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

C15H9BrCl2N2O — CID 63534436

IUPAC3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2Br)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9BrCl2N2O/c16-10-4-2-1-3-9(10)14-13(15(19)21-20-14)8-5-6-11(17)12(18)7-8/h1-7H,19H2
InChIKeyQBIUJGUFWVPARD-UHFFFAOYSA-N
MW384.06 g/mol
LogP5.66
Rot. Bonds2

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

3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine (PubChem CID 63534436) has the molecular formula C15H9BrCl2N2O and a molecular weight of 384.06 g/mol. Its IUPAC name is 3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine
PubChem CID63534436
Molecular FormulaC15H9BrCl2N2O
Molecular Weight384.06 g/mol
Exact Mass381.93
IUPAC Name3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2Br)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9BrCl2N2O/c16-10-4-2-1-3-9(10)14-13(15(19)21-20-14)8-5-6-11(17)12(18)7-8/h1-7H,19H2
InChIKeyQBIUJGUFWVPARD-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine (CID 63534436) is 3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccccc2Br)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine?
The InChIKey is QBIUJGUFWVPARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2O/c16-10-4-2-1-3-9(10)14-13(15(19)21-20-14)8-5-6-11(17)12(18)7-8/h1-7H,19H2.
What are the key properties of 3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine?
3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-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 3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 63534436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).