4-(4-bromo-3,5-difluorophenyl)-1,2-oxazole

C9H4BrF2NO — CID 134326924

IUPAC4-(4-bromo-3,5-difluorophenyl)-1,2-oxazole
SMILESFc1cc(-c2cnoc2)cc(F)c1Br
InChIInChI=1S/C9H4BrF2NO/c10-9-7(11)1-5(2-8(9)12)6-3-13-14-4-6/h1-4H
InChIKeyAEKSRKVJZGRGRZ-UHFFFAOYSA-N
MW260.04 g/mol
LogP3.38
Rot. Bonds1

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

4-(4-bromo-3,5-difluorophenyl)-1,2-oxazole (PubChem CID 134326924) has the molecular formula C9H4BrF2NO and a molecular weight of 260.04 g/mol. Its IUPAC name is 4-(4-bromo-3,5-difluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-bromo-3,5-difluorophenyl)-1,2-oxazole
PubChem CID134326924
Molecular FormulaC9H4BrF2NO
Molecular Weight260.04 g/mol
Exact Mass258.94
IUPAC Name4-(4-bromo-3,5-difluorophenyl)-1,2-oxazole
SMILESFc1cc(-c2cnoc2)cc(F)c1Br
InChIInChI=1S/C9H4BrF2NO/c10-9-7(11)1-5(2-8(9)12)6-3-13-14-4-6/h1-4H
InChIKeyAEKSRKVJZGRGRZ-UHFFFAOYSA-N
XLogP3.38
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-difluorophenyl)-1,2-oxazole?
The IUPAC name of 4-(4-bromo-3,5-difluorophenyl)-1,2-oxazole (CID 134326924) is 4-(4-bromo-3,5-difluorophenyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-bromo-3,5-difluorophenyl)-1,2-oxazole?
The canonical SMILES for 4-(4-bromo-3,5-difluorophenyl)-1,2-oxazole is Fc1cc(-c2cnoc2)cc(F)c1Br.
What is the InChIKey of 4-(4-bromo-3,5-difluorophenyl)-1,2-oxazole?
The InChIKey is AEKSRKVJZGRGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF2NO/c10-9-7(11)1-5(2-8(9)12)6-3-13-14-4-6/h1-4H.
What are the key properties of 4-(4-bromo-3,5-difluorophenyl)-1,2-oxazole?
4-(4-bromo-3,5-difluorophenyl)-1,2-oxazole has a molecular weight of 260.04 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-difluorophenyl)-1,2-oxazole is sourced from PubChem (CID 134326924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).