2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole

C15H11Cl2NO — CID 91756521

IUPAC2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole
SMILESCc1ccc2nc(Cc3c(Cl)cccc3Cl)oc2c1
InChIInChI=1S/C15H11Cl2NO/c1-9-5-6-13-14(7-9)19-15(18-13)8-10-11(16)3-2-4-12(10)17/h2-7H,8H2,1H3
InChIKeyISVUHZBMCQLPDQ-UHFFFAOYSA-N
MW292.17 g/mol
LogP5.03
Rot. Bonds2

About 2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole

2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole (PubChem CID 91756521) has the molecular formula C15H11Cl2NO and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole
PubChem CID91756521
Molecular FormulaC15H11Cl2NO
Molecular Weight292.17 g/mol
Exact Mass291.02
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole
SMILESCc1ccc2nc(Cc3c(Cl)cccc3Cl)oc2c1
InChIInChI=1S/C15H11Cl2NO/c1-9-5-6-13-14(7-9)19-15(18-13)8-10-11(16)3-2-4-12(10)17/h2-7H,8H2,1H3
InChIKeyISVUHZBMCQLPDQ-UHFFFAOYSA-N
XLogP5.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.17
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2,6-dichlorophenyl)methyl]-6-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-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole (CID 91756521) is 2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole is Cc1ccc2nc(Cc3c(Cl)cccc3Cl)oc2c1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole?
The InChIKey is ISVUHZBMCQLPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c1-9-5-6-13-14(7-9)19-15(18-13)8-10-11(16)3-2-4-12(10)17/h2-7H,8H2,1H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole?
2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole has a molecular weight of 292.17 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole is sourced from PubChem (CID 91756521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).