2-chloro-4-(2-fluorophenyl)-1,3-oxazole

C9H5ClFNO — CID 89389386

IUPAC2-chloro-4-(2-fluorophenyl)-1,3-oxazole
SMILESFc1ccccc1-c1coc(Cl)n1
InChIInChI=1S/C9H5ClFNO/c10-9-12-8(5-13-9)6-3-1-2-4-7(6)11/h1-5H
InChIKeyASTONVSXPBQTEO-UHFFFAOYSA-N
MW197.60 g/mol
LogP3.13
Rot. Bonds1

About 2-chloro-4-(2-fluorophenyl)-1,3-oxazole

2-chloro-4-(2-fluorophenyl)-1,3-oxazole (PubChem CID 89389386) has the molecular formula C9H5ClFNO and a molecular weight of 197.60 g/mol. Its IUPAC name is 2-chloro-4-(2-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-4-(2-fluorophenyl)-1,3-oxazole
PubChem CID89389386
Molecular FormulaC9H5ClFNO
Molecular Weight197.60 g/mol
Exact Mass197.00
IUPAC Name2-chloro-4-(2-fluorophenyl)-1,3-oxazole
SMILESFc1ccccc1-c1coc(Cl)n1
InChIInChI=1S/C9H5ClFNO/c10-9-12-8(5-13-9)6-3-1-2-4-7(6)11/h1-5H
InChIKeyASTONVSXPBQTEO-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 2-chloro-4-(2-fluorophenyl)-1,3-oxazole?
The IUPAC name of 2-chloro-4-(2-fluorophenyl)-1,3-oxazole (CID 89389386) is 2-chloro-4-(2-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-chloro-4-(2-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 2-chloro-4-(2-fluorophenyl)-1,3-oxazole is Fc1ccccc1-c1coc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-fluorophenyl)-1,3-oxazole?
The InChIKey is ASTONVSXPBQTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO/c10-9-12-8(5-13-9)6-3-1-2-4-7(6)11/h1-5H.
What are the key properties of 2-chloro-4-(2-fluorophenyl)-1,3-oxazole?
2-chloro-4-(2-fluorophenyl)-1,3-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 2-chloro-4-(2-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 89389386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).