2-phenyl-4-[(4-phenylmethoxyphenyl)methyl]-4H-1,3-oxazol-5-one

C23H19NO3 — CID 12854277

IUPAC2-phenyl-4-[(4-phenylmethoxyphenyl)methyl]-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H19NO3/c25-23-21(24-22(27-23)19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)26-16-18-7-3-1-4-8-18/h1-14,21H,15-16H2
InChIKeyLJGSWPXZGGJSPI-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.18
Rot. Bonds6

About 2-phenyl-4-[(4-phenylmethoxyphenyl)methyl]-4H-1,3-oxazol-5-one

2-phenyl-4-[(4-phenylmethoxyphenyl)methyl]-4H-1,3-oxazol-5-one (PubChem CID 12854277) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-phenyl-4-[(4-phenylmethoxyphenyl)methyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-phenyl-4-[(4-phenylmethoxyphenyl)methyl]-4H-1,3-oxazol-5-one
PubChem CID12854277
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name2-phenyl-4-[(4-phenylmethoxyphenyl)methyl]-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H19NO3/c25-23-21(24-22(27-23)19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)26-16-18-7-3-1-4-8-18/h1-14,21H,15-16H2
InChIKeyLJGSWPXZGGJSPI-UHFFFAOYSA-N
XLogP4.18
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[(4-phenylmethoxyphenyl)methyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 2-phenyl-4-[(4-phenylmethoxyphenyl)methyl]-4H-1,3-oxazol-5-one (CID 12854277) is 2-phenyl-4-[(4-phenylmethoxyphenyl)methyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-phenyl-4-[(4-phenylmethoxyphenyl)methyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-phenyl-4-[(4-phenylmethoxyphenyl)methyl]-4H-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=NC1Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-phenyl-4-[(4-phenylmethoxyphenyl)methyl]-4H-1,3-oxazol-5-one?
The InChIKey is LJGSWPXZGGJSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c25-23-21(24-22(27-23)19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)26-16-18-7-3-1-4-8-18/h1-14,21H,15-16H2.
What are the key properties of 2-phenyl-4-[(4-phenylmethoxyphenyl)methyl]-4H-1,3-oxazol-5-one?
2-phenyl-4-[(4-phenylmethoxyphenyl)methyl]-4H-1,3-oxazol-5-one has a molecular weight of 357.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(4-phenylmethoxyphenyl)methyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 12854277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).