4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole

C10H6BrF2NO — CID 79154807

IUPAC4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole
SMILESFc1cccc(F)c1-c1ocnc1CBr
InChIInChI=1S/C10H6BrF2NO/c11-4-8-10(15-5-14-8)9-6(12)2-1-3-7(9)13/h1-3,5H,4H2
InChIKeyYEPZYZQDVBSANX-UHFFFAOYSA-N
MW274.06 g/mol
LogP3.51
Rot. Bonds2

About 4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole

4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole (PubChem CID 79154807) has the molecular formula C10H6BrF2NO and a molecular weight of 274.06 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole
PubChem CID79154807
Molecular FormulaC10H6BrF2NO
Molecular Weight274.06 g/mol
Exact Mass272.96
IUPAC Name4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole
SMILESFc1cccc(F)c1-c1ocnc1CBr
InChIInChI=1S/C10H6BrF2NO/c11-4-8-10(15-5-14-8)9-6(12)2-1-3-7(9)13/h1-3,5H,4H2
InChIKeyYEPZYZQDVBSANX-UHFFFAOYSA-N
XLogP3.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole (CID 79154807) is 4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole is Fc1cccc(F)c1-c1ocnc1CBr.
What is the InChIKey of 4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole?
The InChIKey is YEPZYZQDVBSANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2NO/c11-4-8-10(15-5-14-8)9-6(12)2-1-3-7(9)13/h1-3,5H,4H2.
What are the key properties of 4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole?
4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole has a molecular weight of 274.06 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole is sourced from PubChem (CID 79154807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).