2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole

C19H11Cl2NO — CID 95911059

IUPAC2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
SMILESClc1ccc(Cl)c(-c2nc3cc(-c4ccccc4)ccc3o2)c1
InChIInChI=1S/C19H11Cl2NO/c20-14-7-8-16(21)15(11-14)19-22-17-10-13(6-9-18(17)23-19)12-4-2-1-3-5-12/h1-11H
InChIKeyBRYNSHLVRBHHGF-UHFFFAOYSA-N
MW340.21 g/mol
LogP6.47
Rot. Bonds2

About 2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole

2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole (PubChem CID 95911059) has the molecular formula C19H11Cl2NO and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
PubChem CID95911059
Molecular FormulaC19H11Cl2NO
Molecular Weight340.21 g/mol
Exact Mass339.02
IUPAC Name2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
SMILESClc1ccc(Cl)c(-c2nc3cc(-c4ccccc4)ccc3o2)c1
InChIInChI=1S/C19H11Cl2NO/c20-14-7-8-16(21)15(11-14)19-22-17-10-13(6-9-18(17)23-19)12-4-2-1-3-5-12/h1-11H
InChIKeyBRYNSHLVRBHHGF-UHFFFAOYSA-N
XLogP6.47
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.21
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dichlorophenyl)-5-phenyl-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

Related Compounds

5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
2-(3,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 91678574
2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole
CID 95911056
2-(4-bromo-2-fluorophenyl)-5-phenyl-1,3-benzoxazole
CID 95910362
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
2-(2,5-dichlorophenyl)-[1,3]oxazolo[4,5-c]pyridine
CID 91677485
4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 3933123
2,5-dichloro-N-[4-chloro-3-[5-(4-propan-2-yloxyphenyl)-1,3-benzoxazol-2-yl]phenyl]benzamide
CID 25157629
4-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]aniline
CID 67334689
3-bromo-4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 95910793
5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole
CID 169336838
5-phenyl-2-pyridin-2-yl-1,3-benzoxazole
CID 132598032

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole?
The IUPAC name of 2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole (CID 95911059) is 2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole?
The canonical SMILES for 2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole is Clc1ccc(Cl)c(-c2nc3cc(-c4ccccc4)ccc3o2)c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole?
The InChIKey is BRYNSHLVRBHHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2NO/c20-14-7-8-16(21)15(11-14)19-22-17-10-13(6-9-18(17)23-19)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole?
2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole has a molecular weight of 340.21 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole is sourced from PubChem (CID 95911059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).