2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole

C9H8FNO — CID 11858639

IUPAC2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C9H8FNO/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2
InChIKeyYSYWCNBSAQZIRO-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.60
Rot. Bonds1

About 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole

2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 11858639) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID11858639
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C9H8FNO/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2
InChIKeyYSYWCNBSAQZIRO-UHFFFAOYSA-N
XLogP1.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole (CID 11858639) is 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1ccc(C2=NCCO2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is YSYWCNBSAQZIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2.
What are the key properties of 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole?
2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 165.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11858639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).