2-(3-fluoroborinin-2-yl)-1,3-oxazole

C8H5BFNO — CID 20674281

IUPAC2-(3-fluoroborinin-2-yl)-1,3-oxazole
SMILESFc1cccbc1-c1ncco1
InChIInChI=1S/C8H5BFNO/c10-6-2-1-3-9-7(6)8-11-4-5-12-8/h1-5H
InChIKeyARHVZVVXSBHSAQ-UHFFFAOYSA-N
MW160.94 g/mol
LogP1.82
Rot. Bonds1

About 2-(3-fluoroborinin-2-yl)-1,3-oxazole

2-(3-fluoroborinin-2-yl)-1,3-oxazole (PubChem CID 20674281) has the molecular formula C8H5BFNO and a molecular weight of 160.94 g/mol. Its IUPAC name is 2-(3-fluoroborinin-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-fluoroborinin-2-yl)-1,3-oxazole
PubChem CID20674281
Molecular FormulaC8H5BFNO
Molecular Weight160.94 g/mol
Exact Mass161.04
IUPAC Name2-(3-fluoroborinin-2-yl)-1,3-oxazole
SMILESFc1cccbc1-c1ncco1
InChIInChI=1S/C8H5BFNO/c10-6-2-1-3-9-7(6)8-11-4-5-12-8/h1-5H
InChIKeyARHVZVVXSBHSAQ-UHFFFAOYSA-N
XLogP1.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.94
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroborinin-2-yl)-1,3-oxazole?
The IUPAC name of 2-(3-fluoroborinin-2-yl)-1,3-oxazole (CID 20674281) is 2-(3-fluoroborinin-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(3-fluoroborinin-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(3-fluoroborinin-2-yl)-1,3-oxazole is Fc1cccbc1-c1ncco1.
What is the InChIKey of 2-(3-fluoroborinin-2-yl)-1,3-oxazole?
The InChIKey is ARHVZVVXSBHSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BFNO/c10-6-2-1-3-9-7(6)8-11-4-5-12-8/h1-5H.
What are the key properties of 2-(3-fluoroborinin-2-yl)-1,3-oxazole?
2-(3-fluoroborinin-2-yl)-1,3-oxazole has a molecular weight of 160.94 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroborinin-2-yl)-1,3-oxazole is sourced from PubChem (CID 20674281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).