2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole

C12H11ClFNO2 — CID 116864942

IUPAC2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole
SMILESCCOc1cnc(-c2cc(F)c(C)cc2Cl)o1
InChIInChI=1S/C12H11ClFNO2/c1-3-16-11-6-15-12(17-11)8-5-10(14)7(2)4-9(8)13/h4-6H,3H2,1-2H3
InChIKeyHPNMPYSZXQWXRZ-UHFFFAOYSA-N
MW255.68 g/mol
LogP3.84
Rot. Bonds3

About 2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole

2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole (PubChem CID 116864942) has the molecular formula C12H11ClFNO2 and a molecular weight of 255.68 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole
PubChem CID116864942
Molecular FormulaC12H11ClFNO2
Molecular Weight255.68 g/mol
Exact Mass255.05
IUPAC Name2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole
SMILESCCOc1cnc(-c2cc(F)c(C)cc2Cl)o1
InChIInChI=1S/C12H11ClFNO2/c1-3-16-11-6-15-12(17-11)8-5-10(14)7(2)4-9(8)13/h4-6H,3H2,1-2H3
InChIKeyHPNMPYSZXQWXRZ-UHFFFAOYSA-N
XLogP3.84
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole?
The IUPAC name of 2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole (CID 116864942) is 2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole.
What is the SMILES notation for 2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole?
The canonical SMILES for 2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole is CCOc1cnc(-c2cc(F)c(C)cc2Cl)o1.
What is the InChIKey of 2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole?
The InChIKey is HPNMPYSZXQWXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO2/c1-3-16-11-6-15-12(17-11)8-5-10(14)7(2)4-9(8)13/h4-6H,3H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole?
2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole has a molecular weight of 255.68 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole is sourced from PubChem (CID 116864942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).