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

C15H16N2O3 — CID 146105451

IUPAC[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-3-yl]methanol
SMILESCC(C)(C)c1noc(-c2oc3ccccc3c2CO)n1
InChIInChI=1S/C15H16N2O3/c1-15(2,3)14-16-13(20-17-14)12-10(8-18)9-6-4-5-7-11(9)19-12/h4-7,18H,8H2,1-3H3
InChIKeyBZBOYXRGPSZJOC-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.27
Rot. Bonds2

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

[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-3-yl]methanol (PubChem CID 146105451) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is [2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-3-yl]methanol.

Molecular Properties

Compound Name[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-3-yl]methanol
PubChem CID146105451
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-3-yl]methanol
SMILESCC(C)(C)c1noc(-c2oc3ccccc3c2CO)n1
InChIInChI=1S/C15H16N2O3/c1-15(2,3)14-16-13(20-17-14)12-10(8-18)9-6-4-5-7-11(9)19-12/h4-7,18H,8H2,1-3H3
InChIKeyBZBOYXRGPSZJOC-UHFFFAOYSA-N
XLogP3.27
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-3-yl]methanol
CID 146105450
2-[3-(hydroxymethyl)-1-benzofuran-2-yl]phenol
CID 11413769
3-tert-butyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 23379881
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate
CID 55551879
1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866005
4-[3-(hydroxymethyl)-1-benzofuran-2-yl]benzaldehyde
CID 11288201
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 29078211
1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851915
1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856562
2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol
CID 60837428
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 80740910
[2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol
CID 11149875

Frequently Asked Questions

What is the IUPAC name of [2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-3-yl]methanol?
The IUPAC name of [2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-3-yl]methanol (CID 146105451) is [2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-3-yl]methanol.
What is the SMILES notation for [2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-3-yl]methanol?
The canonical SMILES for [2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-3-yl]methanol is CC(C)(C)c1noc(-c2oc3ccccc3c2CO)n1.
What is the InChIKey of [2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-3-yl]methanol?
The InChIKey is BZBOYXRGPSZJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-15(2,3)14-16-13(20-17-14)12-10(8-18)9-6-4-5-7-11(9)19-12/h4-7,18H,8H2,1-3H3.
What are the key properties of [2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-3-yl]methanol?
[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-3-yl]methanol has a molecular weight of 272.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-3-yl]methanol is sourced from PubChem (CID 146105451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).