2-(3,4-dichlorophenyl)-1,3-benzoxazole

C13H7Cl2NO — CID 18485

IUPAC2-(3,4-dichlorophenyl)-1,3-benzoxazole
SMILESClc1ccc(-c2nc3ccccc3o2)cc1Cl
InChIInChI=1S/C13H7Cl2NO/c14-9-6-5-8(7-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H
InChIKeyDSLOEULHWIEJEX-UHFFFAOYSA-N
MW264.11 g/mol
LogP4.80
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-1,3-benzoxazole

2-(3,4-dichlorophenyl)-1,3-benzoxazole (PubChem CID 18485) has the molecular formula C13H7Cl2NO and a molecular weight of 264.11 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1,3-benzoxazole
PubChem CID18485
Molecular FormulaC13H7Cl2NO
Molecular Weight264.11 g/mol
Exact Mass262.99
IUPAC Name2-(3,4-dichlorophenyl)-1,3-benzoxazole
SMILESClc1ccc(-c2nc3ccccc3o2)cc1Cl
InChIInChI=1S/C13H7Cl2NO/c14-9-6-5-8(7-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H
InChIKeyDSLOEULHWIEJEX-UHFFFAOYSA-N
XLogP4.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1,3-benzoxazole?
The IUPAC name of 2-(3,4-dichlorophenyl)-1,3-benzoxazole (CID 18485) is 2-(3,4-dichlorophenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1,3-benzoxazole is Clc1ccc(-c2nc3ccccc3o2)cc1Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1,3-benzoxazole?
The InChIKey is DSLOEULHWIEJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO/c14-9-6-5-8(7-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H.
What are the key properties of 2-(3,4-dichlorophenyl)-1,3-benzoxazole?
2-(3,4-dichlorophenyl)-1,3-benzoxazole has a molecular weight of 264.11 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1,3-benzoxazole is sourced from PubChem (CID 18485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).