2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole

C17H15NO3 — CID 24961512

IUPAC2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole
SMILESCOc1ccc(OCc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H15NO3/c1-19-14-7-9-15(10-8-14)20-12-17-18-11-16(21-17)13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyDZFWOKCGYGGWSS-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.93
Rot. Bonds5

About 2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole

2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole (PubChem CID 24961512) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole
PubChem CID24961512
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole
SMILESCOc1ccc(OCc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H15NO3/c1-19-14-7-9-15(10-8-14)20-12-17-18-11-16(21-17)13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyDZFWOKCGYGGWSS-UHFFFAOYSA-N
XLogP3.93
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole (CID 24961512) is 2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole is COc1ccc(OCc2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole?
The InChIKey is DZFWOKCGYGGWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-19-14-7-9-15(10-8-14)20-12-17-18-11-16(21-17)13-5-3-2-4-6-13/h2-11H,12H2,1H3.
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole?
2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole has a molecular weight of 281.31 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 24961512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).