3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)-1-benzofuran-2-ol

C21H15NO3 — CID 135697466

IUPAC3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)-1-benzofuran-2-ol
SMILESOc1oc2ccccc2c1C1=NCC(c2cccc3ccccc23)O1
InChIInChI=1S/C21H15NO3/c23-21-19(16-9-3-4-11-17(16)25-21)20-22-12-18(24-20)15-10-5-7-13-6-1-2-8-14(13)15/h1-11,18,23H,12H2
InChIKeyWJAIOEGSEYEHJD-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.81
Rot. Bonds2

About 3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)-1-benzofuran-2-ol

3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)-1-benzofuran-2-ol (PubChem CID 135697466) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)-1-benzofuran-2-ol.

Molecular Properties

Compound Name3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)-1-benzofuran-2-ol
PubChem CID135697466
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)-1-benzofuran-2-ol
SMILESOc1oc2ccccc2c1C1=NCC(c2cccc3ccccc23)O1
InChIInChI=1S/C21H15NO3/c23-21-19(16-9-3-4-11-17(16)25-21)20-22-12-18(24-20)15-10-5-7-13-6-1-2-8-14(13)15/h1-11,18,23H,12H2
InChIKeyWJAIOEGSEYEHJD-UHFFFAOYSA-N
XLogP4.81
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)-1-benzofuran-2-ol?
The IUPAC name of 3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)-1-benzofuran-2-ol (CID 135697466) is 3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)-1-benzofuran-2-ol.
What is the SMILES notation for 3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)-1-benzofuran-2-ol?
The canonical SMILES for 3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)-1-benzofuran-2-ol is Oc1oc2ccccc2c1C1=NCC(c2cccc3ccccc23)O1.
What is the InChIKey of 3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)-1-benzofuran-2-ol?
The InChIKey is WJAIOEGSEYEHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c23-21-19(16-9-3-4-11-17(16)25-21)20-22-12-18(24-20)15-10-5-7-13-6-1-2-8-14(13)15/h1-11,18,23H,12H2.
What are the key properties of 3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)-1-benzofuran-2-ol?
3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)-1-benzofuran-2-ol has a molecular weight of 329.36 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)-1-benzofuran-2-ol is sourced from PubChem (CID 135697466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).