5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole

C14H9Cl2NO2 — CID 11033712

IUPAC5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole
SMILESClc1ccc(OCc2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C14H9Cl2NO2/c15-9-1-4-11(5-2-9)18-8-14-17-12-7-10(16)3-6-13(12)19-14/h1-7H,8H2
InChIKeyOIOYCMYWHIMYNV-UHFFFAOYSA-N
MW294.14 g/mol
LogP4.71
Rot. Bonds3

About 5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole

5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole (PubChem CID 11033712) has the molecular formula C14H9Cl2NO2 and a molecular weight of 294.14 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole
PubChem CID11033712
Molecular FormulaC14H9Cl2NO2
Molecular Weight294.14 g/mol
Exact Mass293.00
IUPAC Name5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole
SMILESClc1ccc(OCc2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C14H9Cl2NO2/c15-9-1-4-11(5-2-9)18-8-14-17-12-7-10(16)3-6-13(12)19-14/h1-7H,8H2
InChIKeyOIOYCMYWHIMYNV-UHFFFAOYSA-N
XLogP4.71
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole (CID 11033712) is 5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole is Clc1ccc(OCc2nc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole?
The InChIKey is OIOYCMYWHIMYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO2/c15-9-1-4-11(5-2-9)18-8-14-17-12-7-10(16)3-6-13(12)19-14/h1-7H,8H2.
What are the key properties of 5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole?
5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole has a molecular weight of 294.14 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole is sourced from PubChem (CID 11033712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).