5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one

C17H18N2O4 — CID 71898564

IUPAC5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one
SMILESCC(C)c1ccc(C(O)Cn2nc(-c3ccco3)oc2=O)cc1
InChIInChI=1S/C17H18N2O4/c1-11(2)12-5-7-13(8-6-12)14(20)10-19-17(21)23-16(18-19)15-4-3-9-22-15/h3-9,11,14,20H,10H2,1-2H3
InChIKeyWFMALPNFFXDBQD-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.95
Rot. Bonds5

About 5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one

5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one (PubChem CID 71898564) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one
PubChem CID71898564
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one
SMILESCC(C)c1ccc(C(O)Cn2nc(-c3ccco3)oc2=O)cc1
InChIInChI=1S/C17H18N2O4/c1-11(2)12-5-7-13(8-6-12)14(20)10-19-17(21)23-16(18-19)15-4-3-9-22-15/h3-9,11,14,20H,10H2,1-2H3
InChIKeyWFMALPNFFXDBQD-UHFFFAOYSA-N
XLogP2.95
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 111476514
2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide
CID 47126529
3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
CID 42947873
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide
CID 94510114
5-(furan-2-yl)-3-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3,4-oxadiazol-2-one
CID 55562928
3-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
CID 47126497
5-(furan-2-yl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-1,3,4-oxadiazol-2-one
CID 138052243
N-carbamoyl-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 47126523
5-(furan-2-yl)-3-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-one
CID 75446474
5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
CID 47145770
5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one
CID 17407849
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

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one (CID 71898564) is 5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one is CC(C)c1ccc(C(O)Cn2nc(-c3ccco3)oc2=O)cc1.
What is the InChIKey of 5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one?
The InChIKey is WFMALPNFFXDBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11(2)12-5-7-13(8-6-12)14(20)10-19-17(21)23-16(18-19)15-4-3-9-22-15/h3-9,11,14,20H,10H2,1-2H3.
What are the key properties of 5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one?
5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one has a molecular weight of 314.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 71898564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).