4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol

C16H14N2O3 — CID 63845067

IUPAC4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1ccc(Cc2nc(COc3ccccc3)no2)cc1
InChIInChI=1S/C16H14N2O3/c19-13-8-6-12(7-9-13)10-16-17-15(18-21-16)11-20-14-4-2-1-3-5-14/h1-9,19H,10-11H2
InChIKeyJAOCYRVGQQMVMC-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.94
Rot. Bonds5

About 4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol

4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 63845067) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID63845067
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1ccc(Cc2nc(COc3ccccc3)no2)cc1
InChIInChI=1S/C16H14N2O3/c19-13-8-6-12(7-9-13)10-16-17-15(18-21-16)11-20-14-4-2-1-3-5-14/h1-9,19H,10-11H2
InChIKeyJAOCYRVGQQMVMC-UHFFFAOYSA-N
XLogP2.94
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chloroethyl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 62717373
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351995
4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115079062
4-[[3-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 100802328
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenol
CID 61497436
1-cyclopropyl-N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63352086
4-[(2S)-3-[2-[4-[(5-benzyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]phenyl]ethylamino]-2-hydroxypropoxy]phenol
CID 12044210
5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 115079120
5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 56897566
2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile
CID 82284630
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844357
1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 62717203

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 63845067) is 4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is Oc1ccc(Cc2nc(COc3ccccc3)no2)cc1.
What is the InChIKey of 4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is JAOCYRVGQQMVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-13-8-6-12(7-9-13)10-16-17-15(18-21-16)11-20-14-4-2-1-3-5-14/h1-9,19H,10-11H2.
What are the key properties of 4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 282.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 63845067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).