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

C9H5BrCl2N2O — CID 79555310

IUPAC4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Cl)ccc2Cl)c1Br
InChIInChI=1S/C9H5BrCl2N2O/c10-7-8(15-14-9(7)13)5-3-4(11)1-2-6(5)12/h1-3H,(H2,13,14)
InChIKeyFDFQKZHSBICBPX-UHFFFAOYSA-N
MW307.96 g/mol
LogP3.99
Rot. Bonds1

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

4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine (PubChem CID 79555310) has the molecular formula C9H5BrCl2N2O and a molecular weight of 307.96 g/mol. Its IUPAC name is 4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine
PubChem CID79555310
Molecular FormulaC9H5BrCl2N2O
Molecular Weight307.96 g/mol
Exact Mass305.90
IUPAC Name4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Cl)ccc2Cl)c1Br
InChIInChI=1S/C9H5BrCl2N2O/c10-7-8(15-14-9(7)13)5-3-4(11)1-2-6(5)12/h1-3H,(H2,13,14)
InChIKeyFDFQKZHSBICBPX-UHFFFAOYSA-N
XLogP3.99
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.96
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine (CID 79555310) is 4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2cc(Cl)ccc2Cl)c1Br.
What is the InChIKey of 4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is FDFQKZHSBICBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrCl2N2O/c10-7-8(15-14-9(7)13)5-3-4(11)1-2-6(5)12/h1-3H,(H2,13,14).
What are the key properties of 4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine?
4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine has a molecular weight of 307.96 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79555310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).