5-(2-chloro-6-fluoro-3-methylphenyl)-1,3-oxazole

C10H7ClFNO — CID 146035109

IUPAC5-(2-chloro-6-fluoro-3-methylphenyl)-1,3-oxazole
SMILESCc1ccc(F)c(-c2cnco2)c1Cl
InChIInChI=1S/C10H7ClFNO/c1-6-2-3-7(12)9(10(6)11)8-4-13-5-14-8/h2-5H,1H3
InChIKeyISUIWWFIVOKJAQ-UHFFFAOYSA-N
MW211.62 g/mol
LogP3.44
Rot. Bonds1

About 5-(2-chloro-6-fluoro-3-methylphenyl)-1,3-oxazole

5-(2-chloro-6-fluoro-3-methylphenyl)-1,3-oxazole (PubChem CID 146035109) has the molecular formula C10H7ClFNO and a molecular weight of 211.62 g/mol. Its IUPAC name is 5-(2-chloro-6-fluoro-3-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-chloro-6-fluoro-3-methylphenyl)-1,3-oxazole
PubChem CID146035109
Molecular FormulaC10H7ClFNO
Molecular Weight211.62 g/mol
Exact Mass211.02
IUPAC Name5-(2-chloro-6-fluoro-3-methylphenyl)-1,3-oxazole
SMILESCc1ccc(F)c(-c2cnco2)c1Cl
InChIInChI=1S/C10H7ClFNO/c1-6-2-3-7(12)9(10(6)11)8-4-13-5-14-8/h2-5H,1H3
InChIKeyISUIWWFIVOKJAQ-UHFFFAOYSA-N
XLogP3.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.62
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluoro-3-methylphenyl)-1,3-oxazole?
The IUPAC name of 5-(2-chloro-6-fluoro-3-methylphenyl)-1,3-oxazole (CID 146035109) is 5-(2-chloro-6-fluoro-3-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(2-chloro-6-fluoro-3-methylphenyl)-1,3-oxazole?
The canonical SMILES for 5-(2-chloro-6-fluoro-3-methylphenyl)-1,3-oxazole is Cc1ccc(F)c(-c2cnco2)c1Cl.
What is the InChIKey of 5-(2-chloro-6-fluoro-3-methylphenyl)-1,3-oxazole?
The InChIKey is ISUIWWFIVOKJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO/c1-6-2-3-7(12)9(10(6)11)8-4-13-5-14-8/h2-5H,1H3.
What are the key properties of 5-(2-chloro-6-fluoro-3-methylphenyl)-1,3-oxazole?
5-(2-chloro-6-fluoro-3-methylphenyl)-1,3-oxazole has a molecular weight of 211.62 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluoro-3-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 146035109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).