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

C15H14N2O4 — CID 111476514

IUPAC5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one
SMILESCc1ccc(C(O)Cn2nc(-c3ccco3)oc2=O)cc1
InChIInChI=1S/C15H14N2O4/c1-10-4-6-11(7-5-10)12(18)9-17-15(19)21-14(16-17)13-3-2-8-20-13/h2-8,12,18H,9H2,1H3
InChIKeyUXIWSAQDJYPJOC-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.14
Rot. Bonds4

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

5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one (PubChem CID 111476514) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one
PubChem CID111476514
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one
SMILESCc1ccc(C(O)Cn2nc(-c3ccco3)oc2=O)cc1
InChIInChI=1S/C15H14N2O4/c1-10-4-6-11(7-5-10)12(18)9-17-15(19)21-14(16-17)13-3-2-8-20-13/h2-8,12,18H,9H2,1H3
InChIKeyUXIWSAQDJYPJOC-UHFFFAOYSA-N
XLogP2.14
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-yl)-3-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 71898564
3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
CID 42947873
5-(furan-2-yl)-3-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1,3,4-oxadiazol-2-one
CID 55562928
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide
CID 94510114
2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide
CID 47126529
5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
CID 47145770
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-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one
CID 17407849
methyl 5-[[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-3-methylfuran-2-carboxylate
CID 71976926

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one (CID 111476514) is 5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one is Cc1ccc(C(O)Cn2nc(-c3ccco3)oc2=O)cc1.
What is the InChIKey of 5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one?
The InChIKey is UXIWSAQDJYPJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10-4-6-11(7-5-10)12(18)9-17-15(19)21-14(16-17)13-3-2-8-20-13/h2-8,12,18H,9H2,1H3.
What are the key properties of 5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one?
5-(furan-2-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one has a molecular weight of 286.29 g/mol, XLogP of 2.14, 4 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-methylphenyl)ethyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 111476514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).