3-(2-chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole

C11H11ClFNO — CID 167186481

IUPAC3-(2-chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole
SMILESCC1ON=C(c2c(F)cccc2Cl)C1C
InChIInChI=1S/C11H11ClFNO/c1-6-7(2)15-14-11(6)10-8(12)4-3-5-9(10)13/h3-7H,1-2H3
InChIKeyQGQMYWXBOZHGCP-UHFFFAOYSA-N
MW227.67 g/mol
LogP3.24
Rot. Bonds1

About 3-(2-chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole

3-(2-chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole (PubChem CID 167186481) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole
PubChem CID167186481
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name3-(2-chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole
SMILESCC1ON=C(c2c(F)cccc2Cl)C1C
InChIInChI=1S/C11H11ClFNO/c1-6-7(2)15-14-11(6)10-8(12)4-3-5-9(10)13/h3-7H,1-2H3
InChIKeyQGQMYWXBOZHGCP-UHFFFAOYSA-N
XLogP3.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole (CID 167186481) is 3-(2-chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole is CC1ON=C(c2c(F)cccc2Cl)C1C.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole?
The InChIKey is QGQMYWXBOZHGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c1-6-7(2)15-14-11(6)10-8(12)4-3-5-9(10)13/h3-7H,1-2H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole?
3-(2-chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole has a molecular weight of 227.67 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 167186481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).