4-(2,4-dimethoxy-5-propan-2-ylphenyl)-5-(4-fluorophenyl)-1,3-oxazole

C20H20FNO3 — CID 68971176

IUPAC4-(2,4-dimethoxy-5-propan-2-ylphenyl)-5-(4-fluorophenyl)-1,3-oxazole
SMILESCOc1cc(OC)c(C(C)C)cc1-c1ncoc1-c1ccc(F)cc1
InChIInChI=1S/C20H20FNO3/c1-12(2)15-9-16(18(24-4)10-17(15)23-3)19-20(25-11-22-19)13-5-7-14(21)8-6-13/h5-12H,1-4H3
InChIKeyBHJITDQESZYRBS-UHFFFAOYSA-N
MW341.38 g/mol
LogP5.29
Rot. Bonds5

About 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-5-(4-fluorophenyl)-1,3-oxazole

4-(2,4-dimethoxy-5-propan-2-ylphenyl)-5-(4-fluorophenyl)-1,3-oxazole (PubChem CID 68971176) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-5-(4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(2,4-dimethoxy-5-propan-2-ylphenyl)-5-(4-fluorophenyl)-1,3-oxazole
PubChem CID68971176
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name4-(2,4-dimethoxy-5-propan-2-ylphenyl)-5-(4-fluorophenyl)-1,3-oxazole
SMILESCOc1cc(OC)c(C(C)C)cc1-c1ncoc1-c1ccc(F)cc1
InChIInChI=1S/C20H20FNO3/c1-12(2)15-9-16(18(24-4)10-17(15)23-3)19-20(25-11-22-19)13-5-7-14(21)8-6-13/h5-12H,1-4H3
InChIKeyBHJITDQESZYRBS-UHFFFAOYSA-N
XLogP5.29
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.38
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-5-(4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-5-(4-fluorophenyl)-1,3-oxazole (CID 68971176) is 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-5-(4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-5-(4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-5-(4-fluorophenyl)-1,3-oxazole is COc1cc(OC)c(C(C)C)cc1-c1ncoc1-c1ccc(F)cc1.
What is the InChIKey of 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-5-(4-fluorophenyl)-1,3-oxazole?
The InChIKey is BHJITDQESZYRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-12(2)15-9-16(18(24-4)10-17(15)23-3)19-20(25-11-22-19)13-5-7-14(21)8-6-13/h5-12H,1-4H3.
What are the key properties of 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-5-(4-fluorophenyl)-1,3-oxazole?
4-(2,4-dimethoxy-5-propan-2-ylphenyl)-5-(4-fluorophenyl)-1,3-oxazole has a molecular weight of 341.38 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxy-5-propan-2-ylphenyl)-5-(4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 68971176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).