4-(chloromethyl)-2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazole

C13H13ClFNO2 — CID 22273903

IUPAC4-(chloromethyl)-2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazole
SMILESCCOc1cc(F)ccc1-c1nc(CCl)c(C)o1
InChIInChI=1S/C13H13ClFNO2/c1-3-17-12-6-9(15)4-5-10(12)13-16-11(7-14)8(2)18-13/h4-6H,3,7H2,1-2H3
InChIKeyOULRHCMBTYVERQ-UHFFFAOYSA-N
MW269.70 g/mol
LogP3.93
Rot. Bonds4

About 4-(chloromethyl)-2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazole

4-(chloromethyl)-2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazole (PubChem CID 22273903) has the molecular formula C13H13ClFNO2 and a molecular weight of 269.70 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazole
PubChem CID22273903
Molecular FormulaC13H13ClFNO2
Molecular Weight269.70 g/mol
Exact Mass269.06
IUPAC Name4-(chloromethyl)-2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazole
SMILESCCOc1cc(F)ccc1-c1nc(CCl)c(C)o1
InChIInChI=1S/C13H13ClFNO2/c1-3-17-12-6-9(15)4-5-10(12)13-16-11(7-14)8(2)18-13/h4-6H,3,7H2,1-2H3
InChIKeyOULRHCMBTYVERQ-UHFFFAOYSA-N
XLogP3.93
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazole (CID 22273903) is 4-(chloromethyl)-2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazole is CCOc1cc(F)ccc1-c1nc(CCl)c(C)o1.
What is the InChIKey of 4-(chloromethyl)-2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazole?
The InChIKey is OULRHCMBTYVERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO2/c1-3-17-12-6-9(15)4-5-10(12)13-16-11(7-14)8(2)18-13/h4-6H,3,7H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazole?
4-(chloromethyl)-2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazole has a molecular weight of 269.70 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 22273903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).