2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole

C15H11BrClNO — CID 95911050

IUPAC2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole
SMILESCc1ccc2nc(-c3cc(Br)ccc3Cl)oc2c1C
InChIInChI=1S/C15H11BrClNO/c1-8-3-6-13-14(9(8)2)19-15(18-13)11-7-10(16)4-5-12(11)17/h3-7H,1-2H3
InChIKeyQDLUZTDTYUOZNA-UHFFFAOYSA-N
MW336.62 g/mol
LogP5.53
Rot. Bonds1

About 2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole

2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole (PubChem CID 95911050) has the molecular formula C15H11BrClNO and a molecular weight of 336.62 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole
PubChem CID95911050
Molecular FormulaC15H11BrClNO
Molecular Weight336.62 g/mol
Exact Mass334.97
IUPAC Name2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole
SMILESCc1ccc2nc(-c3cc(Br)ccc3Cl)oc2c1C
InChIInChI=1S/C15H11BrClNO/c1-8-3-6-13-14(9(8)2)19-15(18-13)11-7-10(16)4-5-12(11)17/h3-7H,1-2H3
InChIKeyQDLUZTDTYUOZNA-UHFFFAOYSA-N
XLogP5.53
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.62
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole
CID 17307933
5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole
CID 169336838
2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole
CID 95910920
5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine
CID 104728890
6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole
CID 95910925
2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole
CID 95911056
2-(5-bromo-2-chlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459743
2-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325051
2-(5-bromo-2-chlorophenyl)-1,3-oxazole
CID 130839908
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 43914820
2-(2,5-dichlorophenyl)-7-methyl-5-nitro-1,3-benzoxazole
CID 95910864
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide
CID 23883701

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole (CID 95911050) is 2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole is Cc1ccc2nc(-c3cc(Br)ccc3Cl)oc2c1C.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole?
The InChIKey is QDLUZTDTYUOZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO/c1-8-3-6-13-14(9(8)2)19-15(18-13)11-7-10(16)4-5-12(11)17/h3-7H,1-2H3.
What are the key properties of 2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole?
2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole has a molecular weight of 336.62 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole is sourced from PubChem (CID 95911050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).