[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate

C20H15FN2O4 — CID 9060583

IUPAC[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)oc2ccc(F)cc12
InChIInChI=1S/C20H15FN2O4/c1-11-15-10-14(21)8-9-16(15)26-17(11)20(24)25-12(2)18-22-23-19(27-18)13-6-4-3-5-7-13/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyPCRKHQXOJAHDLZ-GFCCVEGCSA-N
MW366.35 g/mol
LogP4.85
Rot. Bonds4

About [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate

[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 9060583) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
PubChem CID9060583
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Name[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)oc2ccc(F)cc12
InChIInChI=1S/C20H15FN2O4/c1-11-15-10-14(21)8-9-16(15)26-17(11)20(24)25-12(2)18-22-23-19(27-18)13-6-4-3-5-7-13/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyPCRKHQXOJAHDLZ-GFCCVEGCSA-N
XLogP4.85
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate with MolForge

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Related Compounds

[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 9065294
[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8640179
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-chloro-4-fluorobenzoate
CID 8937352
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7630369
[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 8600673
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 8939044
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,6-dimethoxybenzoate
CID 7604439
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-chlorobenzoate
CID 9412590
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,5-dimethylbenzoate
CID 7604450
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825432
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3,5-dimethoxybenzoate
CID 8872478
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3,4,5-trimethoxybenzoate
CID 8870596

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate (CID 9060583) is [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)oc2ccc(F)cc12.
What is the InChIKey of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is PCRKHQXOJAHDLZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H15FN2O4/c1-11-15-10-14(21)8-9-16(15)26-17(11)20(24)25-12(2)18-22-23-19(27-18)13-6-4-3-5-7-13/h3-10,12H,1-2H3/t12-/m1/s1.
What are the key properties of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 366.35 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 9060583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).