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

C9H7BrN2O — CID 26597017

IUPAC4-(4-bromophenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc(Br)cc1
InChIInChI=1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,11H2
InChIKeyDHBUAOKIJSWCEB-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.69
Rot. Bonds1

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

4-(4-bromophenyl)-1,2-oxazol-5-amine (PubChem CID 26597017) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1,2-oxazol-5-amine
PubChem CID26597017
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name4-(4-bromophenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc(Br)cc1
InChIInChI=1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,11H2
InChIKeyDHBUAOKIJSWCEB-UHFFFAOYSA-N
XLogP2.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)-1,2-oxazol-5-amine (CID 26597017) is 4-(4-bromophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)-1,2-oxazol-5-amine is Nc1oncc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-1,2-oxazol-5-amine?
The InChIKey is DHBUAOKIJSWCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,11H2.
What are the key properties of 4-(4-bromophenyl)-1,2-oxazol-5-amine?
4-(4-bromophenyl)-1,2-oxazol-5-amine has a molecular weight of 239.07 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 26597017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).