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

C9H7BrN2O — CID 3432869

IUPAC3-(2-bromophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccccc2Br)no1
InChIInChI=1S/C9H7BrN2O/c10-7-4-2-1-3-6(7)8-5-9(11)13-12-8/h1-5H,11H2
InChIKeyIWZPUSFAARHNRW-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.69
Rot. Bonds1

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

3-(2-bromophenyl)-1,2-oxazol-5-amine (PubChem CID 3432869) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-1,2-oxazol-5-amine
PubChem CID3432869
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name3-(2-bromophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccccc2Br)no1
InChIInChI=1S/C9H7BrN2O/c10-7-4-2-1-3-6(7)8-5-9(11)13-12-8/h1-5H,11H2
InChIKeyIWZPUSFAARHNRW-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 3-(2-bromophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bromophenyl)-1,2-oxazol-5-amine (CID 3432869) is 3-(2-bromophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bromophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bromophenyl)-1,2-oxazol-5-amine is Nc1cc(-c2ccccc2Br)no1.
What is the InChIKey of 3-(2-bromophenyl)-1,2-oxazol-5-amine?
The InChIKey is IWZPUSFAARHNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-7-4-2-1-3-6(7)8-5-9(11)13-12-8/h1-5H,11H2.
What are the key properties of 3-(2-bromophenyl)-1,2-oxazol-5-amine?
3-(2-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 3-(2-bromophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 3432869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).