2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole

C14H9BrClNO — CID 17307933

IUPAC2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1
InChIInChI=1S/C14H9BrClNO/c1-8-2-5-13-12(6-8)17-14(18-13)10-7-9(15)3-4-11(10)16/h2-7H,1H3
InChIKeyUOJUFJYEBZFAGC-UHFFFAOYSA-N
MW322.59 g/mol
LogP5.22
Rot. Bonds1

About 2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole

2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole (PubChem CID 17307933) has the molecular formula C14H9BrClNO and a molecular weight of 322.59 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole
PubChem CID17307933
Molecular FormulaC14H9BrClNO
Molecular Weight322.59 g/mol
Exact Mass320.96
IUPAC Name2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1
InChIInChI=1S/C14H9BrClNO/c1-8-2-5-13-12(6-8)17-14(18-13)10-7-9(15)3-4-11(10)16/h2-7H,1H3
InChIKeyUOJUFJYEBZFAGC-UHFFFAOYSA-N
XLogP5.22
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.59
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole
CID 169336838
2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole
CID 69068751
2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole
CID 95911050
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 107051373
2-[5-bromo-2-(3-phenylprop-2-enoxy)phenyl]-5-methyl-1,3-benzoxazole
CID 68525175
5-[[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168539410
3-bromo-4-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 95910780
2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole
CID 1472067
2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 735973
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole (CID 17307933) is 2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole is Cc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole?
The InChIKey is UOJUFJYEBZFAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO/c1-8-2-5-13-12(6-8)17-14(18-13)10-7-9(15)3-4-11(10)16/h2-7H,1H3.
What are the key properties of 2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole?
2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole has a molecular weight of 322.59 g/mol, XLogP of 5.22, 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)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 17307933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).