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

C17H15NO2 — CID 102463231

IUPAC5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole
SMILESCOc1ccc(Cc2cnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H15NO2/c1-19-15-9-7-13(8-10-15)11-16-12-18-17(20-16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyVLTKOORUXCYZMW-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.94
Rot. Bonds4

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

5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole (PubChem CID 102463231) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole
PubChem CID102463231
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole
SMILESCOc1ccc(Cc2cnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C17H15NO2/c1-19-15-9-7-13(8-10-15)11-16-12-18-17(20-16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyVLTKOORUXCYZMW-UHFFFAOYSA-N
XLogP3.94
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole
CID 172549607
5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole
CID 11414009
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine
CID 25175386
2-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-5-yl]-N-methylethanamine
CID 115086967
2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde
CID 115087128
1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine
CID 66731672
3-benzyl-5-(4-methoxyphenyl)-2-methylpyrazine
CID 70899886
3-(4-methoxyphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895154
2-tert-butyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 59286698
5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 139449783
2-(4-methoxyphenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653679

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole (CID 102463231) is 5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole is COc1ccc(Cc2cnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole?
The InChIKey is VLTKOORUXCYZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-19-15-9-7-13(8-10-15)11-16-12-18-17(20-16)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole?
5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole has a molecular weight of 265.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 102463231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).