3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one

C17H18N2O5 — CID 42947873

IUPAC3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
SMILESCCc1ccc(OCC(O)Cn2nc(-c3ccco3)oc2=O)cc1
InChIInChI=1S/C17H18N2O5/c1-2-12-5-7-14(8-6-12)23-11-13(20)10-19-17(21)24-16(18-19)15-4-3-9-22-15/h3-9,13,20H,2,10-11H2,1H3
InChIKeyFOQHWBGFHWGMKI-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.10
Rot. Bonds7

About 3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one

3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one (PubChem CID 42947873) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
PubChem CID42947873
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
SMILESCCc1ccc(OCC(O)Cn2nc(-c3ccco3)oc2=O)cc1
InChIInChI=1S/C17H18N2O5/c1-2-12-5-7-14(8-6-12)23-11-13(20)10-19-17(21)24-16(18-19)15-4-3-9-22-15/h3-9,13,20H,2,10-11H2,1H3
InChIKeyFOQHWBGFHWGMKI-UHFFFAOYSA-N
XLogP2.10
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(furan-2-yl)-3-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3,4-oxadiazol-2-one
CID 55562928
5-(furan-2-yl)-3-[(2R)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-1,3,4-oxadiazol-2-one
CID 94065426
5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 71898564
3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-propyl-1,3,4-oxadiazol-2-one
CID 97243364
2-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]isoindole-1,3-dione
CID 40804129
3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5,6-dimethylpyrimidin-4-one
CID 86786950
6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one
CID 24657952
1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol
CID 168526584
3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 52870964
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate
CID 9272371
N-carbamoyl-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 47126523
2-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 18087043

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one (CID 42947873) is 3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one is CCc1ccc(OCC(O)Cn2nc(-c3ccco3)oc2=O)cc1.
What is the InChIKey of 3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one?
The InChIKey is FOQHWBGFHWGMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-2-12-5-7-14(8-6-12)23-11-13(20)10-19-17(21)24-16(18-19)15-4-3-9-22-15/h3-9,13,20H,2,10-11H2,1H3.
What are the key properties of 3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one?
3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one has a molecular weight of 330.34 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 42947873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).