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

C16H12FNO2 — CID 70158646

IUPAC4-(4-fluorophenoxy)-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1Oc1ccc(F)cc1
InChIInChI=1S/C16H12FNO2/c1-11-16(19-14-9-7-13(17)8-10-14)15(18-20-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyAVMIGHQACLJRTJ-UHFFFAOYSA-N
MW269.28 g/mol
LogP4.58
Rot. Bonds3

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

4-(4-fluorophenoxy)-5-methyl-3-phenyl-1,2-oxazole (PubChem CID 70158646) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-5-methyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-5-methyl-3-phenyl-1,2-oxazole
PubChem CID70158646
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name4-(4-fluorophenoxy)-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1Oc1ccc(F)cc1
InChIInChI=1S/C16H12FNO2/c1-11-16(19-14-9-7-13(17)8-10-14)15(18-20-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyAVMIGHQACLJRTJ-UHFFFAOYSA-N
XLogP4.58
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-5-methyl-3-phenyl-1,2-oxazole?
The IUPAC name of 4-(4-fluorophenoxy)-5-methyl-3-phenyl-1,2-oxazole (CID 70158646) is 4-(4-fluorophenoxy)-5-methyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-(4-fluorophenoxy)-5-methyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-(4-fluorophenoxy)-5-methyl-3-phenyl-1,2-oxazole is Cc1onc(-c2ccccc2)c1Oc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-5-methyl-3-phenyl-1,2-oxazole?
The InChIKey is AVMIGHQACLJRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-11-16(19-14-9-7-13(17)8-10-14)15(18-20-11)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 4-(4-fluorophenoxy)-5-methyl-3-phenyl-1,2-oxazole?
4-(4-fluorophenoxy)-5-methyl-3-phenyl-1,2-oxazole has a molecular weight of 269.28 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-5-methyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 70158646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).