[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-(2-chlorophenyl)furan-2-carboxylate

C21H15ClN2O4 — CID 9060715

IUPAC[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-(2-chlorophenyl)furan-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccc(-c2ccccc2Cl)o1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H15ClN2O4/c1-13(19-23-24-20(28-19)14-7-3-2-4-8-14)26-21(25)18-12-11-17(27-18)15-9-5-6-10-16(15)22/h2-13H,1H3/t13-/m1/s1
InChIKeyZQRYPTVOCQLFMP-CYBMUJFWSA-N
MW394.81 g/mol
LogP5.57
Rot. Bonds5

About [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-(2-chlorophenyl)furan-2-carboxylate

[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-(2-chlorophenyl)furan-2-carboxylate (PubChem CID 9060715) has the molecular formula C21H15ClN2O4 and a molecular weight of 394.81 g/mol. Its IUPAC name is [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-(2-chlorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-(2-chlorophenyl)furan-2-carboxylate
PubChem CID9060715
Molecular FormulaC21H15ClN2O4
Molecular Weight394.81 g/mol
Exact Mass394.07
IUPAC Name[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-(2-chlorophenyl)furan-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccc(-c2ccccc2Cl)o1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H15ClN2O4/c1-13(19-23-24-20(28-19)14-7-3-2-4-8-14)26-21(25)18-12-11-17(27-18)15-9-5-6-10-16(15)22/h2-13H,1H3/t13-/m1/s1
InChIKeyZQRYPTVOCQLFMP-CYBMUJFWSA-N
XLogP5.57
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.81
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate
CID 18196843
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-chlorobenzoate
CID 7603572
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 4-(methoxymethyl)benzoate
CID 7627264
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,6-dimethoxybenzoate
CID 7604439
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2,6-dichlorophenyl)acetate
CID 7604320
[(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-chloro-4-fluorobenzoate
CID 8937352
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5,6-dichloropyridine-3-carboxylate
CID 8873119
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3,5-dimethoxybenzoate
CID 8872478
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(2-chlorophenyl)propanoate
CID 31012201
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] pyridine-2-carboxylate
CID 8860436
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chloro-5-methylsulfonylbenzoate
CID 42894244

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-(2-chlorophenyl)furan-2-carboxylate?
The IUPAC name of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-(2-chlorophenyl)furan-2-carboxylate (CID 9060715) is [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-(2-chlorophenyl)furan-2-carboxylate.
What is the SMILES notation for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-(2-chlorophenyl)furan-2-carboxylate?
The canonical SMILES for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-(2-chlorophenyl)furan-2-carboxylate is C[C@@H](OC(=O)c1ccc(-c2ccccc2Cl)o1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-(2-chlorophenyl)furan-2-carboxylate?
The InChIKey is ZQRYPTVOCQLFMP-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H15ClN2O4/c1-13(19-23-24-20(28-19)14-7-3-2-4-8-14)26-21(25)18-12-11-17(27-18)15-9-5-6-10-16(15)22/h2-13H,1H3/t13-/m1/s1.
What are the key properties of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-(2-chlorophenyl)furan-2-carboxylate?
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-(2-chlorophenyl)furan-2-carboxylate has a molecular weight of 394.81 g/mol, XLogP of 5.57, 5 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-(2-chlorophenyl)furan-2-carboxylate is sourced from PubChem (CID 9060715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).