5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole

C16H11Cl2NO2 — CID 146097170

IUPAC5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(COc3ccccc3Cl)on2)cc1
InChIInChI=1S/C16H11Cl2NO2/c17-12-7-5-11(6-8-12)15-9-13(21-19-15)10-20-16-4-2-1-3-14(16)18/h1-9H,10H2
InChIKeyJELKYKTYVDTLLG-UHFFFAOYSA-N
MW320.18 g/mol
LogP5.23
Rot. Bonds4

About 5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole

5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole (PubChem CID 146097170) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole
PubChem CID146097170
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(COc3ccccc3Cl)on2)cc1
InChIInChI=1S/C16H11Cl2NO2/c17-12-7-5-11(6-8-12)15-9-13(21-19-15)10-20-16-4-2-1-3-14(16)18/h1-9H,10H2
InChIKeyJELKYKTYVDTLLG-UHFFFAOYSA-N
XLogP5.23
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.18
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole (CID 146097170) is 5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole is Clc1ccc(-c2cc(COc3ccccc3Cl)on2)cc1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole?
The InChIKey is JELKYKTYVDTLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c17-12-7-5-11(6-8-12)15-9-13(21-19-15)10-20-16-4-2-1-3-14(16)18/h1-9H,10H2.
What are the key properties of 5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole?
5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole has a molecular weight of 320.18 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole is sourced from PubChem (CID 146097170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).