3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol

C15H16N2O4 — CID 106474204

IUPAC3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESOC1CCOCC1c1nc(C2COc3ccccc32)no1
InChIInChI=1S/C15H16N2O4/c18-12-5-6-19-7-11(12)15-16-14(17-21-15)10-8-20-13-4-2-1-3-9(10)13/h1-4,10-12,18H,5-8H2
InChIKeyCVMFXAWROCJEAF-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.46
Rot. Bonds2

About 3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol

3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol (PubChem CID 106474204) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol.

Molecular Properties

Compound Name3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
PubChem CID106474204
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESOC1CCOCC1c1nc(C2COc3ccccc32)no1
InChIInChI=1S/C15H16N2O4/c18-12-5-6-19-7-11(12)15-16-14(17-21-15)10-8-20-13-4-2-1-3-9(10)13/h1-4,10-12,18H,5-8H2
InChIKeyCVMFXAWROCJEAF-UHFFFAOYSA-N
XLogP1.46
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474123
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474143
5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114351090
3-(2,3-dihydro-1-benzofuran-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915112
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474164
3-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474192
2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971991
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol
CID 106474029
3-(3,4-dihydro-2H-chromen-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914990
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97330359
2-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109342

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The IUPAC name of 3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol (CID 106474204) is 3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol.
What is the SMILES notation for 3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The canonical SMILES for 3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol is OC1CCOCC1c1nc(C2COc3ccccc32)no1.
What is the InChIKey of 3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The InChIKey is CVMFXAWROCJEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-12-5-6-19-7-11(12)15-16-14(17-21-15)10-8-20-13-4-2-1-3-9(10)13/h1-4,10-12,18H,5-8H2.
What are the key properties of 3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol has a molecular weight of 288.30 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol is sourced from PubChem (CID 106474204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).