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

C12H11ClN2O3 — CID 44605913

IUPAC[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate
SMILESCC(=O)O[C@H](C)c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C12H11ClN2O3/c1-7(17-8(2)16)11-14-15-12(18-11)9-4-3-5-10(13)6-9/h3-7H,1-2H3/t7-/m1/s1
InChIKeyBYVABJQATCUPNS-SSDOTTSWSA-N
MW266.68 g/mol
LogP3.01
Rot. Bonds3

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

[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate (PubChem CID 44605913) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate
PubChem CID44605913
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate
SMILESCC(=O)O[C@H](C)c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C12H11ClN2O3/c1-7(17-8(2)16)11-14-15-12(18-11)9-4-3-5-10(13)6-9/h3-7H,1-2H3/t7-/m1/s1
InChIKeyBYVABJQATCUPNS-SSDOTTSWSA-N
XLogP3.01
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 9286153
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 6-chloro-2H-chromene-3-carboxylate
CID 18225242
3-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-2-methylpropan-1-ol
CID 111542528
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
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616510
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2,6-dichlorophenyl)acetate
CID 7604320
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-[(3-chlorophenyl)methylsulfanyl]acetate
CID 43032940
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 9065294
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7604545
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-chloro-4-fluorobenzoate
CID 8937352
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2,4-dichlorophenyl)acetate
CID 46824122

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate?
The IUPAC name of [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate (CID 44605913) is [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate.
What is the SMILES notation for [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate?
The canonical SMILES for [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate is CC(=O)O[C@H](C)c1nnc(-c2cccc(Cl)c2)o1.
What is the InChIKey of [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate?
The InChIKey is BYVABJQATCUPNS-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-7(17-8(2)16)11-14-15-12(18-11)9-4-3-5-10(13)6-9/h3-7H,1-2H3/t7-/m1/s1.
What are the key properties of [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate?
[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate has a molecular weight of 266.68 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate is sourced from PubChem (CID 44605913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).