1-[2-ethyl-4-(5-phenyl-1,2-oxazol-4-yl)phenyl]-2-methylpropan-1-one

C21H21NO2 — CID 171075102

IUPAC1-[2-ethyl-4-(5-phenyl-1,2-oxazol-4-yl)phenyl]-2-methylpropan-1-one
SMILESCCc1cc(-c2cnoc2-c2ccccc2)ccc1C(=O)C(C)C
InChIInChI=1S/C21H21NO2/c1-4-15-12-17(10-11-18(15)20(23)14(2)3)19-13-22-24-21(19)16-8-6-5-7-9-16/h5-14H,4H2,1-3H3
InChIKeyBQZBXRHFJUJFIU-UHFFFAOYSA-N
MW319.40 g/mol
LogP5.41
Rot. Bonds5

About 1-[2-ethyl-4-(5-phenyl-1,2-oxazol-4-yl)phenyl]-2-methylpropan-1-one

1-[2-ethyl-4-(5-phenyl-1,2-oxazol-4-yl)phenyl]-2-methylpropan-1-one (PubChem CID 171075102) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[2-ethyl-4-(5-phenyl-1,2-oxazol-4-yl)phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-ethyl-4-(5-phenyl-1,2-oxazol-4-yl)phenyl]-2-methylpropan-1-one
PubChem CID171075102
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name1-[2-ethyl-4-(5-phenyl-1,2-oxazol-4-yl)phenyl]-2-methylpropan-1-one
SMILESCCc1cc(-c2cnoc2-c2ccccc2)ccc1C(=O)C(C)C
InChIInChI=1S/C21H21NO2/c1-4-15-12-17(10-11-18(15)20(23)14(2)3)19-13-22-24-21(19)16-8-6-5-7-9-16/h5-14H,4H2,1-3H3
InChIKeyBQZBXRHFJUJFIU-UHFFFAOYSA-N
XLogP5.41
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-4-(5-phenyl-1,2-oxazol-4-yl)phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-ethyl-4-(5-phenyl-1,2-oxazol-4-yl)phenyl]-2-methylpropan-1-one (CID 171075102) is 1-[2-ethyl-4-(5-phenyl-1,2-oxazol-4-yl)phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-ethyl-4-(5-phenyl-1,2-oxazol-4-yl)phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-ethyl-4-(5-phenyl-1,2-oxazol-4-yl)phenyl]-2-methylpropan-1-one is CCc1cc(-c2cnoc2-c2ccccc2)ccc1C(=O)C(C)C.
What is the InChIKey of 1-[2-ethyl-4-(5-phenyl-1,2-oxazol-4-yl)phenyl]-2-methylpropan-1-one?
The InChIKey is BQZBXRHFJUJFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-4-15-12-17(10-11-18(15)20(23)14(2)3)19-13-22-24-21(19)16-8-6-5-7-9-16/h5-14H,4H2,1-3H3.
What are the key properties of 1-[2-ethyl-4-(5-phenyl-1,2-oxazol-4-yl)phenyl]-2-methylpropan-1-one?
1-[2-ethyl-4-(5-phenyl-1,2-oxazol-4-yl)phenyl]-2-methylpropan-1-one has a molecular weight of 319.40 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-4-(5-phenyl-1,2-oxazol-4-yl)phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 171075102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).