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

C13H6Cl3NO — CID 95911053

IUPAC5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
SMILESClc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C13H6Cl3NO/c14-7-1-3-10(16)9(5-7)13-17-11-6-8(15)2-4-12(11)18-13/h1-6H
InChIKeyKNARUSBGVBXNIH-UHFFFAOYSA-N
MW298.56 g/mol
LogP5.45
Rot. Bonds1

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

5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole (PubChem CID 95911053) has the molecular formula C13H6Cl3NO and a molecular weight of 298.56 g/mol. Its IUPAC name is 5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
PubChem CID95911053
Molecular FormulaC13H6Cl3NO
Molecular Weight298.56 g/mol
Exact Mass296.95
IUPAC Name5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
SMILESClc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C13H6Cl3NO/c14-7-1-3-10(16)9(5-7)13-17-11-6-8(15)2-4-12(11)18-13/h1-6H
InChIKeyKNARUSBGVBXNIH-UHFFFAOYSA-N
XLogP5.45
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 95911059
2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole
CID 95911056
2-(2,5-dichlorophenyl)-[1,3]oxazolo[4,5-c]pyridine
CID 91677485
5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole
CID 169336838
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide
CID 23883624
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 7537272
5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23821250
3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine
CID 28896820
3-(5-chloro-1,3-benzoxazol-2-yl)benzene-1,2-diamine
CID 168953701
2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole
CID 17307933
N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide
CID 19631776

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole (CID 95911053) is 5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole is Clc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1.
What is the InChIKey of 5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole?
The InChIKey is KNARUSBGVBXNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3NO/c14-7-1-3-10(16)9(5-7)13-17-11-6-8(15)2-4-12(11)18-13/h1-6H.
What are the key properties of 5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole?
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole has a molecular weight of 298.56 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole is sourced from PubChem (CID 95911053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).