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

C12H11BrN2O3 — CID 44605912

IUPAC[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate
SMILESCC(=O)O[C@H](C)c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C12H11BrN2O3/c1-7(17-8(2)16)12-14-11(15-18-12)9-3-5-10(13)6-4-9/h3-7H,1-2H3/t7-/m1/s1
InChIKeyYQWIHPBHUDHMDW-SSDOTTSWSA-N
MW311.14 g/mol
LogP3.12
Rot. Bonds3

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

[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate (PubChem CID 44605912) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is [(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate
PubChem CID44605912
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate
SMILESCC(=O)O[C@H](C)c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C12H11BrN2O3/c1-7(17-8(2)16)12-14-11(15-18-12)9-3-5-10(13)6-4-9/h3-7H,1-2H3/t7-/m1/s1
InChIKeyYQWIHPBHUDHMDW-SSDOTTSWSA-N
XLogP3.12
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate
CID 44605909
5-[(1R)-1-(4-bromophenoxy)ethyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 1294361
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-bromophenyl)acetate
CID 46548702
3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
CID 1313859
3-(4-bromophenyl)-5-[(2S)-butan-2-yl]-1,2,4-oxadiazole
CID 90311133
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 2-(4-bromophenoxy)acetate
CID 46538254
N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
CID 83280029
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 55220902
[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromo-4-methoxybenzoate
CID 9380473
[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 2-bromo-5-fluorobenzoate
CID 9473807
[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate
CID 9380865
N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 83280963

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate?
The IUPAC name of [(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate (CID 44605912) is [(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate.
What is the SMILES notation for [(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate?
The canonical SMILES for [(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate is CC(=O)O[C@H](C)c1nc(-c2ccc(Br)cc2)no1.
What is the InChIKey of [(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate?
The InChIKey is YQWIHPBHUDHMDW-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c1-7(17-8(2)16)12-14-11(15-18-12)9-3-5-10(13)6-4-9/h3-7H,1-2H3/t7-/m1/s1.
What are the key properties of [(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate?
[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate has a molecular weight of 311.14 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate is sourced from PubChem (CID 44605912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).