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

C16H10N2O3 — CID 63845259

IUPAC3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cccc(-c2nc(-c3cc4ccccc4o3)no2)c1
InChIInChI=1S/C16H10N2O3/c19-12-6-3-5-11(8-12)16-17-15(18-21-16)14-9-10-4-1-2-7-13(10)20-14/h1-9,19H
InChIKeyYMEMSVBSROBONT-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.86
Rot. Bonds2

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

3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 63845259) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID63845259
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cccc(-c2nc(-c3cc4ccccc4o3)no2)c1
InChIInChI=1S/C16H10N2O3/c19-12-6-3-5-11(8-12)16-17-15(18-21-16)14-9-10-4-1-2-7-13(10)20-14/h1-9,19H
InChIKeyYMEMSVBSROBONT-UHFFFAOYSA-N
XLogP3.86
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 63845259) is 3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol is Oc1cccc(-c2nc(-c3cc4ccccc4o3)no2)c1.
What is the InChIKey of 3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is YMEMSVBSROBONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c19-12-6-3-5-11(8-12)16-17-15(18-21-16)14-9-10-4-1-2-7-13(10)20-14/h1-9,19H.
What are the key properties of 3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 278.27 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 63845259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).