5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one

C18H16N2O4 — CID 51111099

IUPAC5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccco2)oc1=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H16N2O4/c21-15(14-8-7-12-4-1-2-5-13(12)10-14)11-20-18(22)24-17(19-20)16-6-3-9-23-16/h3,6-10H,1-2,4-5,11H2
InChIKeySMJUGCUFULAAST-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.86
Rot. Bonds4

About 5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one

5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one (PubChem CID 51111099) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one
PubChem CID51111099
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccco2)oc1=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H16N2O4/c21-15(14-8-7-12-4-1-2-5-13(12)10-14)11-20-18(22)24-17(19-20)16-6-3-9-23-16/h3,6-10H,1-2,4-5,11H2
InChIKeySMJUGCUFULAAST-UHFFFAOYSA-N
XLogP2.86
TPSA78.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one
CID 17407849
N-carbamoyl-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
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N-(3,5-difluorophenyl)-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 17493986
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CID 24520101
2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(3-methylbutan-2-yl)acetamide
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5-(furan-2-yl)-3-(oxolan-2-ylmethyl)-1,3,4-oxadiazol-2-one
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3-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
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1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
CID 8002233
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
CID 61238347
3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 3833357
2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061893
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-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one (CID 51111099) is 5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one is O=C(Cn1nc(-c2ccco2)oc1=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one?
The InChIKey is SMJUGCUFULAAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-15(14-8-7-12-4-1-2-5-13(12)10-14)11-20-18(22)24-17(19-20)16-6-3-9-23-16/h3,6-10H,1-2,4-5,11H2.
What are the key properties of 5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one?
5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one has a molecular weight of 324.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 51111099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).