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

C12H11BrN2O3 — CID 44605909

IUPAC[(1R)-1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate
SMILESCC(=O)O[C@H](C)c1noc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C12H11BrN2O3/c1-7(17-8(2)16)11-14-12(18-15-11)9-3-5-10(13)6-4-9/h3-7H,1-2H3/t7-/m1/s1
InChIKeyRKMQXTZFEJKHSQ-SSDOTTSWSA-N
MW311.14 g/mol
LogP3.12
Rot. Bonds3

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

[(1R)-1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate (PubChem CID 44605909) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is [(1R)-1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate
PubChem CID44605909
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name[(1R)-1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate
SMILESCC(=O)O[C@H](C)c1noc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C12H11BrN2O3/c1-7(17-8(2)16)11-14-12(18-15-11)9-3-5-10(13)6-4-9/h3-7H,1-2H3/t7-/m1/s1
InChIKeyRKMQXTZFEJKHSQ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate
CID 44605722
[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate
CID 44605912
1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326439
[(1R)-1-(4-bromophenyl)ethyl] acetate
CID 11770642
methyl 5-(4-bromophenyl)-1,2,4-oxadiazole-3-carboxylate
CID 175668866
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl 4-oxo-3H-phthalazine-1-carboxylate
CID 166231888
2-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropanamide
CID 156856559
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid
CID 23010469
1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate
CID 138963409
4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 102660571
4-bromo-N-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylcarbamoylamino]ethyl]benzamide
CID 167834271

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate?
The IUPAC name of [(1R)-1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate (CID 44605909) is [(1R)-1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate.
What is the SMILES notation for [(1R)-1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate?
The canonical SMILES for [(1R)-1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate is CC(=O)O[C@H](C)c1noc(-c2ccc(Br)cc2)n1.
What is the InChIKey of [(1R)-1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate?
The InChIKey is RKMQXTZFEJKHSQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c1-7(17-8(2)16)11-14-12(18-15-11)9-3-5-10(13)6-4-9/h3-7H,1-2H3/t7-/m1/s1.
What are the key properties of [(1R)-1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate?
[(1R)-1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-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-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate is sourced from PubChem (CID 44605909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).