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

C14H10ClNO2 — CID 23763362

IUPAC2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole
SMILESClc1ccc(OCc2nc3ccccc3o2)cc1
InChIInChI=1S/C14H10ClNO2/c15-10-5-7-11(8-6-10)17-9-14-16-12-3-1-2-4-13(12)18-14/h1-8H,9H2
InChIKeyBZEUTAWPVLRXPV-UHFFFAOYSA-N
MW259.69 g/mol
LogP4.06
Rot. Bonds3

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

2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole (PubChem CID 23763362) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole
PubChem CID23763362
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole
SMILESClc1ccc(OCc2nc3ccccc3o2)cc1
InChIInChI=1S/C14H10ClNO2/c15-10-5-7-11(8-6-10)17-9-14-16-12-3-1-2-4-13(12)18-14/h1-8H,9H2
InChIKeyBZEUTAWPVLRXPV-UHFFFAOYSA-N
XLogP4.06
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole (CID 23763362) is 2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole is Clc1ccc(OCc2nc3ccccc3o2)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole?
The InChIKey is BZEUTAWPVLRXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-10-5-7-11(8-6-10)17-9-14-16-12-3-1-2-4-13(12)18-14/h1-8H,9H2.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole?
2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole has a molecular weight of 259.69 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole is sourced from PubChem (CID 23763362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).