5-[(3-phenoxyphenoxy)methyl]-3H-1,3-oxazol-2-one

C16H13NO4 — CID 175502384

IUPAC5-[(3-phenoxyphenoxy)methyl]-3H-1,3-oxazol-2-one
SMILESO=c1[nH]cc(COc2cccc(Oc3ccccc3)c2)o1
InChIInChI=1S/C16H13NO4/c18-16-17-10-15(21-16)11-19-13-7-4-8-14(9-13)20-12-5-2-1-3-6-12/h1-10H,11H2,(H,17,18)
InChIKeyGLCIARWTPOVRDI-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.34
Rot. Bonds5

About 5-[(3-phenoxyphenoxy)methyl]-3H-1,3-oxazol-2-one

5-[(3-phenoxyphenoxy)methyl]-3H-1,3-oxazol-2-one (PubChem CID 175502384) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 5-[(3-phenoxyphenoxy)methyl]-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-[(3-phenoxyphenoxy)methyl]-3H-1,3-oxazol-2-one
PubChem CID175502384
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name5-[(3-phenoxyphenoxy)methyl]-3H-1,3-oxazol-2-one
SMILESO=c1[nH]cc(COc2cccc(Oc3ccccc3)c2)o1
InChIInChI=1S/C16H13NO4/c18-16-17-10-15(21-16)11-19-13-7-4-8-14(9-13)20-12-5-2-1-3-6-12/h1-10H,11H2,(H,17,18)
InChIKeyGLCIARWTPOVRDI-UHFFFAOYSA-N
XLogP3.34
TPSA64.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenoxyphenoxy)methyl]-3H-1,3-oxazol-2-one?
The IUPAC name of 5-[(3-phenoxyphenoxy)methyl]-3H-1,3-oxazol-2-one (CID 175502384) is 5-[(3-phenoxyphenoxy)methyl]-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-[(3-phenoxyphenoxy)methyl]-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-[(3-phenoxyphenoxy)methyl]-3H-1,3-oxazol-2-one is O=c1[nH]cc(COc2cccc(Oc3ccccc3)c2)o1.
What is the InChIKey of 5-[(3-phenoxyphenoxy)methyl]-3H-1,3-oxazol-2-one?
The InChIKey is GLCIARWTPOVRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-16-17-10-15(21-16)11-19-13-7-4-8-14(9-13)20-12-5-2-1-3-6-12/h1-10H,11H2,(H,17,18).
What are the key properties of 5-[(3-phenoxyphenoxy)methyl]-3H-1,3-oxazol-2-one?
5-[(3-phenoxyphenoxy)methyl]-3H-1,3-oxazol-2-one has a molecular weight of 283.28 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenoxyphenoxy)methyl]-3H-1,3-oxazol-2-one is sourced from PubChem (CID 175502384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).