7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole

C15H11Br2NO — CID 28690923

IUPAC7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole
SMILESCc1cc2nc(-c3ccc(Br)cc3)oc2c(Br)c1C
InChIInChI=1S/C15H11Br2NO/c1-8-7-12-14(13(17)9(8)2)19-15(18-12)10-3-5-11(16)6-4-10/h3-7H,1-2H3
InChIKeyUCOVWPLAKUEOAA-UHFFFAOYSA-N
MW381.07 g/mol
LogP5.64
Rot. Bonds1

About 7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole

7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole (PubChem CID 28690923) has the molecular formula C15H11Br2NO and a molecular weight of 381.07 g/mol. Its IUPAC name is 7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole
PubChem CID28690923
Molecular FormulaC15H11Br2NO
Molecular Weight381.07 g/mol
Exact Mass378.92
IUPAC Name7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole
SMILESCc1cc2nc(-c3ccc(Br)cc3)oc2c(Br)c1C
InChIInChI=1S/C15H11Br2NO/c1-8-7-12-14(13(17)9(8)2)19-15(18-12)10-3-5-11(16)6-4-10/h3-7H,1-2H3
InChIKeyUCOVWPLAKUEOAA-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

3-(7-bromo-5,6-dimethyl-1,3-benzoxazol-2-yl)aniline
CID 28690975
7-bromo-2-(3-chloro-4-methoxyphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690953
[5-(7-bromo-5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiourea
CID 28691048
7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690900
7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole
CID 95910719
2-(4-bromophenyl)-5-fluoro-1,3-benzoxazol-7-amine
CID 82234229
7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole
CID 82095604
4-[(7-bromo-5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]aniline
CID 54858900
2-(3,5-dibromo-4-methylphenyl)-5,7-dimethyl-1,3-benzoxazole
CID 50880214
5-bromo-2-(4-tert-butylphenyl)-1,3-benzoxazol-7-amine
CID 104728796
2-(4-tert-butylphenyl)-5,7-dimethyl-1,3-benzoxazole
CID 71242093
5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole
CID 82232090

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole?
The IUPAC name of 7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole (CID 28690923) is 7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole?
The canonical SMILES for 7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole is Cc1cc2nc(-c3ccc(Br)cc3)oc2c(Br)c1C.
What is the InChIKey of 7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole?
The InChIKey is UCOVWPLAKUEOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO/c1-8-7-12-14(13(17)9(8)2)19-15(18-12)10-3-5-11(16)6-4-10/h3-7H,1-2H3.
What are the key properties of 7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole?
7-bromo-2-(4-bromophenyl)-5,6-dimethyl-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 7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole is sourced from PubChem (CID 28690923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).