3-(3-chloro-5-fluorophenyl)-1,2-oxazole

C9H5ClFNO — CID 165442186

IUPAC3-(3-chloro-5-fluorophenyl)-1,2-oxazole
SMILESFc1cc(Cl)cc(-c2ccon2)c1
InChIInChI=1S/C9H5ClFNO/c10-7-3-6(4-8(11)5-7)9-1-2-13-12-9/h1-5H
InChIKeyGDYOTGGSBODXDX-UHFFFAOYSA-N
MW197.60 g/mol
LogP3.13
Rot. Bonds1

About 3-(3-chloro-5-fluorophenyl)-1,2-oxazole

3-(3-chloro-5-fluorophenyl)-1,2-oxazole (PubChem CID 165442186) has the molecular formula C9H5ClFNO and a molecular weight of 197.60 g/mol. Its IUPAC name is 3-(3-chloro-5-fluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(3-chloro-5-fluorophenyl)-1,2-oxazole
PubChem CID165442186
Molecular FormulaC9H5ClFNO
Molecular Weight197.60 g/mol
Exact Mass197.00
IUPAC Name3-(3-chloro-5-fluorophenyl)-1,2-oxazole
SMILESFc1cc(Cl)cc(-c2ccon2)c1
InChIInChI=1S/C9H5ClFNO/c10-7-3-6(4-8(11)5-7)9-1-2-13-12-9/h1-5H
InChIKeyGDYOTGGSBODXDX-UHFFFAOYSA-N
XLogP3.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluorophenyl)-1,2-oxazole?
The IUPAC name of 3-(3-chloro-5-fluorophenyl)-1,2-oxazole (CID 165442186) is 3-(3-chloro-5-fluorophenyl)-1,2-oxazole.
What is the SMILES notation for 3-(3-chloro-5-fluorophenyl)-1,2-oxazole?
The canonical SMILES for 3-(3-chloro-5-fluorophenyl)-1,2-oxazole is Fc1cc(Cl)cc(-c2ccon2)c1.
What is the InChIKey of 3-(3-chloro-5-fluorophenyl)-1,2-oxazole?
The InChIKey is GDYOTGGSBODXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO/c10-7-3-6(4-8(11)5-7)9-1-2-13-12-9/h1-5H.
What are the key properties of 3-(3-chloro-5-fluorophenyl)-1,2-oxazole?
3-(3-chloro-5-fluorophenyl)-1,2-oxazole has a molecular weight of 197.60 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluorophenyl)-1,2-oxazole is sourced from PubChem (CID 165442186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).