3-[3-(phenylmethoxymethyl)phenyl]-4H-1,2,4-oxadiazol-5-one

C16H14N2O3 — CID 155154201

IUPAC3-[3-(phenylmethoxymethyl)phenyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2cccc(COCc3ccccc3)c2)no1
InChIInChI=1S/C16H14N2O3/c19-16-17-15(18-21-16)14-8-4-7-13(9-14)11-20-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,17,18,19)
InChIKeyULIZNBLREZSGRB-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.75
Rot. Bonds5

About 3-[3-(phenylmethoxymethyl)phenyl]-4H-1,2,4-oxadiazol-5-one

3-[3-(phenylmethoxymethyl)phenyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 155154201) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[3-(phenylmethoxymethyl)phenyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[3-(phenylmethoxymethyl)phenyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID155154201
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-[3-(phenylmethoxymethyl)phenyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2cccc(COCc3ccccc3)c2)no1
InChIInChI=1S/C16H14N2O3/c19-16-17-15(18-21-16)14-8-4-7-13(9-14)11-20-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,17,18,19)
InChIKeyULIZNBLREZSGRB-UHFFFAOYSA-N
XLogP2.75
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(phenylmethoxymethyl)phenyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[3-(phenylmethoxymethyl)phenyl]-4H-1,2,4-oxadiazol-5-one (CID 155154201) is 3-[3-(phenylmethoxymethyl)phenyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[3-(phenylmethoxymethyl)phenyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[3-(phenylmethoxymethyl)phenyl]-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(-c2cccc(COCc3ccccc3)c2)no1.
What is the InChIKey of 3-[3-(phenylmethoxymethyl)phenyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is ULIZNBLREZSGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-16-17-15(18-21-16)14-8-4-7-13(9-14)11-20-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,17,18,19).
What are the key properties of 3-[3-(phenylmethoxymethyl)phenyl]-4H-1,2,4-oxadiazol-5-one?
3-[3-(phenylmethoxymethyl)phenyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 282.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(phenylmethoxymethyl)phenyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 155154201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).