2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-4,4-dimethyl-5H-1,3-oxazole

C20H22FNO — CID 19004347

IUPAC2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC(C)c1cccc(-c2ccc(F)cc2)c1C1=NC(C)(C)CO1
InChIInChI=1S/C20H22FNO/c1-13(2)16-6-5-7-17(14-8-10-15(21)11-9-14)18(16)19-22-20(3,4)12-23-19/h5-11,13H,12H2,1-4H3
InChIKeyHKQLVPXOSBGEHY-UHFFFAOYSA-N
MW311.40 g/mol
LogP5.17
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 19004347) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID19004347
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC(C)c1cccc(-c2ccc(F)cc2)c1C1=NC(C)(C)CO1
InChIInChI=1S/C20H22FNO/c1-13(2)16-6-5-7-17(14-8-10-15(21)11-9-14)18(16)19-22-20(3,4)12-23-19/h5-11,13H,12H2,1-4H3
InChIKeyHKQLVPXOSBGEHY-UHFFFAOYSA-N
XLogP5.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.40
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 19004347) is 2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-4,4-dimethyl-5H-1,3-oxazole is CC(C)c1cccc(-c2ccc(F)cc2)c1C1=NC(C)(C)CO1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is HKQLVPXOSBGEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO/c1-13(2)16-6-5-7-17(14-8-10-15(21)11-9-14)18(16)19-22-20(3,4)12-23-19/h5-11,13H,12H2,1-4H3.
What are the key properties of 2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 311.40 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-6-propan-2-ylphenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 19004347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).