5-[(4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole

C16H12FNO2 — CID 1480817

IUPAC5-[(4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
SMILESFc1ccc(OCc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C16H12FNO2/c17-13-6-8-14(9-7-13)19-11-15-10-16(18-20-15)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyCCGJLIBJNACBQA-UHFFFAOYSA-N
MW269.28 g/mol
LogP4.06
Rot. Bonds4

About 5-[(4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole

5-[(4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole (PubChem CID 1480817) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
PubChem CID1480817
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name5-[(4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
SMILESFc1ccc(OCc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C16H12FNO2/c17-13-6-8-14(9-7-13)19-11-15-10-16(18-20-15)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyCCGJLIBJNACBQA-UHFFFAOYSA-N
XLogP4.06
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole (CID 1480817) is 5-[(4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole is Fc1ccc(OCc2cc(-c3ccccc3)no2)cc1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole?
The InChIKey is CCGJLIBJNACBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-13-6-8-14(9-7-13)19-11-15-10-16(18-20-15)12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 5-[(4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole?
5-[(4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole has a molecular weight of 269.28 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 1480817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).