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

C15H16N2O4 — CID 146105450

IUPAC[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-3-yl]methanol
SMILESCOC(C)(C)c1noc(-c2oc3ccccc3c2CO)n1
InChIInChI=1S/C15H16N2O4/c1-15(2,19-3)14-16-13(21-17-14)12-10(8-18)9-6-4-5-7-11(9)20-12/h4-7,18H,8H2,1-3H3
InChIKeyXQPWHDQWFWHLDE-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.86
Rot. Bonds4

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

[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-3-yl]methanol (PubChem CID 146105450) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is [2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-3-yl]methanol.

Molecular Properties

Compound Name[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-3-yl]methanol
PubChem CID146105450
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-3-yl]methanol
SMILESCOC(C)(C)c1noc(-c2oc3ccccc3c2CO)n1
InChIInChI=1S/C15H16N2O4/c1-15(2,19-3)14-16-13(21-17-14)12-10(8-18)9-6-4-5-7-11(9)20-12/h4-7,18H,8H2,1-3H3
InChIKeyXQPWHDQWFWHLDE-UHFFFAOYSA-N
XLogP2.86
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-3-yl]methanol?
The IUPAC name of [2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-3-yl]methanol (CID 146105450) is [2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-3-yl]methanol.
What is the SMILES notation for [2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-3-yl]methanol?
The canonical SMILES for [2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-3-yl]methanol is COC(C)(C)c1noc(-c2oc3ccccc3c2CO)n1.
What is the InChIKey of [2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-3-yl]methanol?
The InChIKey is XQPWHDQWFWHLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-15(2,19-3)14-16-13(21-17-14)12-10(8-18)9-6-4-5-7-11(9)20-12/h4-7,18H,8H2,1-3H3.
What are the key properties of [2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-3-yl]methanol?
[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-3-yl]methanol has a molecular weight of 288.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-3-yl]methanol is sourced from PubChem (CID 146105450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).