[3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate

C11H9Cl2NO3 — CID 14372315

IUPAC[3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate
SMILESCC(=O)OC1CC(c2c(Cl)cccc2Cl)=NO1
InChIInChI=1S/C11H9Cl2NO3/c1-6(15)16-10-5-9(14-17-10)11-7(12)3-2-4-8(11)13/h2-4,10H,5H2,1H3
InChIKeyYUQNNVHIBDLCGC-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.01
Rot. Bonds2

About [3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate

[3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate (PubChem CID 14372315) has the molecular formula C11H9Cl2NO3 and a molecular weight of 274.10 g/mol. Its IUPAC name is [3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate.

Molecular Properties

Compound Name[3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate
PubChem CID14372315
Molecular FormulaC11H9Cl2NO3
Molecular Weight274.10 g/mol
Exact Mass273.00
IUPAC Name[3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate
SMILESCC(=O)OC1CC(c2c(Cl)cccc2Cl)=NO1
InChIInChI=1S/C11H9Cl2NO3/c1-6(15)16-10-5-9(14-17-10)11-7(12)3-2-4-8(11)13/h2-4,10H,5H2,1H3
InChIKeyYUQNNVHIBDLCGC-UHFFFAOYSA-N
XLogP3.01
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate?
The IUPAC name of [3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate (CID 14372315) is [3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate.
What is the SMILES notation for [3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate?
The canonical SMILES for [3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate is CC(=O)OC1CC(c2c(Cl)cccc2Cl)=NO1.
What is the InChIKey of [3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate?
The InChIKey is YUQNNVHIBDLCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO3/c1-6(15)16-10-5-9(14-17-10)11-7(12)3-2-4-8(11)13/h2-4,10H,5H2,1H3.
What are the key properties of [3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate?
[3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate has a molecular weight of 274.10 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate is sourced from PubChem (CID 14372315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).