1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate

C17H13ClN2O3 — CID 18196843

IUPAC1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate
SMILESCC(OC(=O)c1ccccc1Cl)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H13ClN2O3/c1-11(22-17(21)13-9-5-6-10-14(13)18)15-19-20-16(23-15)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyYORQUHSNDIPHEM-UHFFFAOYSA-N
MW328.75 g/mol
LogP4.31
Rot. Bonds4

About 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate

1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate (PubChem CID 18196843) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.75 g/mol. Its IUPAC name is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate.

Molecular Properties

Compound Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate
PubChem CID18196843
Molecular FormulaC17H13ClN2O3
Molecular Weight328.75 g/mol
Exact Mass328.06
IUPAC Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate
SMILESCC(OC(=O)c1ccccc1Cl)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H13ClN2O3/c1-11(22-17(21)13-9-5-6-10-14(13)18)15-19-20-16(23-15)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyYORQUHSNDIPHEM-UHFFFAOYSA-N
XLogP4.31
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-chlorobenzoate
CID 7603572
[(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
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chloro-5-methylsulfonylbenzoate
CID 42894244
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-(2-chlorophenyl)furan-2-carboxylate
CID 9060715
[(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] 2,4,5-trimethoxybenzoate
CID 7604513
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2,6-dichlorophenyl)acetate
CID 7604320
[(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] 5,6-dichloropyridine-3-carboxylate
CID 8873119
[(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

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate?
The IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate (CID 18196843) is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate.
What is the SMILES notation for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate?
The canonical SMILES for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate is CC(OC(=O)c1ccccc1Cl)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate?
The InChIKey is YORQUHSNDIPHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-11(22-17(21)13-9-5-6-10-14(13)18)15-19-20-16(23-15)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate?
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate has a molecular weight of 328.75 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate is sourced from PubChem (CID 18196843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).