4-fluoro-5-phenyl-1,2-oxazole

C9H6FNO — CID 91697420

IUPAC4-fluoro-5-phenyl-1,2-oxazole
SMILESFc1cnoc1-c1ccccc1
InChIInChI=1S/C9H6FNO/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H
InChIKeyPNQSAAPWYJBUIS-UHFFFAOYSA-N
MW163.15 g/mol
LogP2.48
Rot. Bonds1

About 4-fluoro-5-phenyl-1,2-oxazole

4-fluoro-5-phenyl-1,2-oxazole (PubChem CID 91697420) has the molecular formula C9H6FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 4-fluoro-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-fluoro-5-phenyl-1,2-oxazole
PubChem CID91697420
Molecular FormulaC9H6FNO
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name4-fluoro-5-phenyl-1,2-oxazole
SMILESFc1cnoc1-c1ccccc1
InChIInChI=1S/C9H6FNO/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H
InChIKeyPNQSAAPWYJBUIS-UHFFFAOYSA-N
XLogP2.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-phenyl-1,2-oxazole?
The IUPAC name of 4-fluoro-5-phenyl-1,2-oxazole (CID 91697420) is 4-fluoro-5-phenyl-1,2-oxazole.
What is the SMILES notation for 4-fluoro-5-phenyl-1,2-oxazole?
The canonical SMILES for 4-fluoro-5-phenyl-1,2-oxazole is Fc1cnoc1-c1ccccc1.
What is the InChIKey of 4-fluoro-5-phenyl-1,2-oxazole?
The InChIKey is PNQSAAPWYJBUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4-fluoro-5-phenyl-1,2-oxazole?
4-fluoro-5-phenyl-1,2-oxazole has a molecular weight of 163.15 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-phenyl-1,2-oxazole is sourced from PubChem (CID 91697420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).