[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate

C19H17ClN2O4 — CID 7604545

IUPAC[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)O[C@H](C)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H17ClN2O4/c1-12-10-15(20)8-9-16(12)24-11-17(23)25-13(2)18-21-22-19(26-18)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3/t13-/m1/s1
InChIKeyZWBBYIHGSKYEIL-CYBMUJFWSA-N
MW372.81 g/mol
LogP4.38
Rot. Bonds6

About [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate

[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 7604545) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Name[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID7604545
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)O[C@H](C)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H17ClN2O4/c1-12-10-15(20)8-9-16(12)24-11-17(23)25-13(2)18-21-22-19(26-18)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3/t13-/m1/s1
InChIKeyZWBBYIHGSKYEIL-CYBMUJFWSA-N
XLogP4.38
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate with MolForge

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Related Compounds

1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 55389896
[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230887
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616510
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(2,4-dimethylphenoxy)acetate
CID 9336180
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-ethoxyphenoxy)acetate
CID 7628188
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate
CID 43031824
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4-chlorophenoxy)acetate
CID 9229442
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-cyanophenoxy)acetate
CID 7605153
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 55392327
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 7629196
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8942628
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8942634

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate (CID 7604545) is [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate is Cc1cc(Cl)ccc1OCC(=O)O[C@H](C)c1nnc(-c2ccccc2)o1.
What is the InChIKey of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is ZWBBYIHGSKYEIL-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-12-10-15(20)8-9-16(12)24-11-17(23)25-13(2)18-21-22-19(26-18)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3/t13-/m1/s1.
What are the key properties of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate?
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate has a molecular weight of 372.81 g/mol, XLogP of 4.38, 6 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] 2-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 7604545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).