2-(4-chlorophenyl)-5-ethoxy-1,3-oxazole

C11H10ClNO2 — CID 3785887

IUPAC2-(4-chlorophenyl)-5-ethoxy-1,3-oxazole
SMILESCCOc1cnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H10ClNO2/c1-2-14-10-7-13-11(15-10)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3
InChIKeyIANCZQXGGKBOTP-UHFFFAOYSA-N
MW223.66 g/mol
LogP3.39
Rot. Bonds3

About 2-(4-chlorophenyl)-5-ethoxy-1,3-oxazole

2-(4-chlorophenyl)-5-ethoxy-1,3-oxazole (PubChem CID 3785887) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-ethoxy-1,3-oxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-ethoxy-1,3-oxazole
PubChem CID3785887
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name2-(4-chlorophenyl)-5-ethoxy-1,3-oxazole
SMILESCCOc1cnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H10ClNO2/c1-2-14-10-7-13-11(15-10)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3
InChIKeyIANCZQXGGKBOTP-UHFFFAOYSA-N
XLogP3.39
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-ethoxy-1,3-oxazole?
The IUPAC name of 2-(4-chlorophenyl)-5-ethoxy-1,3-oxazole (CID 3785887) is 2-(4-chlorophenyl)-5-ethoxy-1,3-oxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-ethoxy-1,3-oxazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-ethoxy-1,3-oxazole is CCOc1cnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-5-ethoxy-1,3-oxazole?
The InChIKey is IANCZQXGGKBOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-2-14-10-7-13-11(15-10)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-ethoxy-1,3-oxazole?
2-(4-chlorophenyl)-5-ethoxy-1,3-oxazole has a molecular weight of 223.66 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-ethoxy-1,3-oxazole is sourced from PubChem (CID 3785887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).