2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole

C15H11Br2NO — CID 50880177

IUPAC2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3cc(Br)c(C)c(Br)c3)nc2c1
InChIInChI=1S/C15H11Br2NO/c1-8-3-4-14-13(5-8)18-15(19-14)10-6-11(16)9(2)12(17)7-10/h3-7H,1-2H3
InChIKeyRRWPIXYZVRIJDS-UHFFFAOYSA-N
MW381.07 g/mol
LogP5.64
Rot. Bonds1

About 2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole

2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole (PubChem CID 50880177) has the molecular formula C15H11Br2NO and a molecular weight of 381.07 g/mol. Its IUPAC name is 2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole
PubChem CID50880177
Molecular FormulaC15H11Br2NO
Molecular Weight381.07 g/mol
Exact Mass378.92
IUPAC Name2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3cc(Br)c(C)c(Br)c3)nc2c1
InChIInChI=1S/C15H11Br2NO/c1-8-3-4-14-13(5-8)18-15(19-14)10-6-11(16)9(2)12(17)7-10/h3-7H,1-2H3
InChIKeyRRWPIXYZVRIJDS-UHFFFAOYSA-N
XLogP5.64
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.07
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089200
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
2-(3,5-dibromo-4-methylphenyl)-5,7-dimethyl-1,3-benzoxazole
CID 50880214
5-methyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-benzoxazole iodide
CID 102552415
3-bromo-4-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 95910780
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
2-(2,3-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089234
2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 735973
2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole
CID 69068751
2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole
CID 17307933

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole (CID 50880177) is 2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole is Cc1ccc2oc(-c3cc(Br)c(C)c(Br)c3)nc2c1.
What is the InChIKey of 2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole?
The InChIKey is RRWPIXYZVRIJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO/c1-8-3-4-14-13(5-8)18-15(19-14)10-6-11(16)9(2)12(17)7-10/h3-7H,1-2H3.
What are the key properties of 2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole?
2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole has a molecular weight of 381.07 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 50880177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).