5-bromo-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine

C9H5BrF2N2O — CID 70891094

IUPAC5-bromo-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine
SMILESNc1nc(-c2c(F)cccc2F)oc1Br
InChIInChI=1S/C9H5BrF2N2O/c10-7-8(13)14-9(15-7)6-4(11)2-1-3-5(6)12/h1-3H,13H2
InChIKeyGCQOCOHSPZKMJC-UHFFFAOYSA-N
MW275.05 g/mol
LogP2.96
Rot. Bonds1

About 5-bromo-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine

5-bromo-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine (PubChem CID 70891094) has the molecular formula C9H5BrF2N2O and a molecular weight of 275.05 g/mol. Its IUPAC name is 5-bromo-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine
PubChem CID70891094
Molecular FormulaC9H5BrF2N2O
Molecular Weight275.05 g/mol
Exact Mass273.96
IUPAC Name5-bromo-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine
SMILESNc1nc(-c2c(F)cccc2F)oc1Br
InChIInChI=1S/C9H5BrF2N2O/c10-7-8(13)14-9(15-7)6-4(11)2-1-3-5(6)12/h1-3H,13H2
InChIKeyGCQOCOHSPZKMJC-UHFFFAOYSA-N
XLogP2.96
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.05
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine?
The IUPAC name of 5-bromo-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine (CID 70891094) is 5-bromo-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine.
What is the SMILES notation for 5-bromo-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine?
The canonical SMILES for 5-bromo-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine is Nc1nc(-c2c(F)cccc2F)oc1Br.
What is the InChIKey of 5-bromo-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine?
The InChIKey is GCQOCOHSPZKMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2N2O/c10-7-8(13)14-9(15-7)6-4(11)2-1-3-5(6)12/h1-3H,13H2.
What are the key properties of 5-bromo-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine?
5-bromo-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine has a molecular weight of 275.05 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine is sourced from PubChem (CID 70891094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).