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

C20H19NO2 — CID 166351524

IUPAC4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2nc(COc3ccc(C4CCC4)cc3)co2)cc1
InChIInChI=1S/C20H19NO2/c1-2-5-17(6-3-1)20-21-18(14-23-20)13-22-19-11-9-16(10-12-19)15-7-4-8-15/h1-3,5-6,9-12,14-15H,4,7-8,13H2
InChIKeyMVPLDGZJFZMAJW-UHFFFAOYSA-N
MW305.38 g/mol
LogP5.19
Rot. Bonds5

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

4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole (PubChem CID 166351524) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole
PubChem CID166351524
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2nc(COc3ccc(C4CCC4)cc3)co2)cc1
InChIInChI=1S/C20H19NO2/c1-2-5-17(6-3-1)20-21-18(14-23-20)13-22-19-11-9-16(10-12-19)15-7-4-8-15/h1-3,5-6,9-12,14-15H,4,7-8,13H2
InChIKeyMVPLDGZJFZMAJW-UHFFFAOYSA-N
XLogP5.19
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole (CID 166351524) is 4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole is c1ccc(-c2nc(COc3ccc(C4CCC4)cc3)co2)cc1.
What is the InChIKey of 4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole?
The InChIKey is MVPLDGZJFZMAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-2-5-17(6-3-1)20-21-18(14-23-20)13-22-19-11-9-16(10-12-19)15-7-4-8-15/h1-3,5-6,9-12,14-15H,4,7-8,13H2.
What are the key properties of 4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole?
4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole has a molecular weight of 305.38 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 166351524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).