7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole

C15H12BrNO — CID 82234163

IUPAC7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole
SMILESCc1cc(C)c2nc(-c3ccccc3)oc2c1Br
InChIInChI=1S/C15H12BrNO/c1-9-8-10(2)13-14(12(9)16)18-15(17-13)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyJFVXMBHEYLGIEU-UHFFFAOYSA-N
MW302.17 g/mol
LogP4.87
Rot. Bonds1

About 7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole

7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole (PubChem CID 82234163) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is 7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole
PubChem CID82234163
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole
SMILESCc1cc(C)c2nc(-c3ccccc3)oc2c1Br
InChIInChI=1S/C15H12BrNO/c1-9-8-10(2)13-14(12(9)16)18-15(17-13)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyJFVXMBHEYLGIEU-UHFFFAOYSA-N
XLogP4.87
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine
CID 82231793
4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 134923956
6-methoxy-4-methyl-2-phenyl-1,3-benzoxazole
CID 135041622
2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine
CID 82233461
4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole
CID 163632646
7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole
CID 15259011
5-methyl-2-phenyl-1,3-benzoxazol-6-amine
CID 155036238
7-bromo-2-(4-bromophenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690923
4,6-dibromo-7-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine
CID 95910799
4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole
CID 11078866
4,6-dibromo-7-methyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-amine
CID 95910801
5,7-dimethyl-2-[4-[(E)-2-(4-phenylphenyl)ethenyl]phenyl]-1,3-benzoxazole
CID 6441624

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole?
The IUPAC name of 7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole (CID 82234163) is 7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole is Cc1cc(C)c2nc(-c3ccccc3)oc2c1Br.
What is the InChIKey of 7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole?
The InChIKey is JFVXMBHEYLGIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c1-9-8-10(2)13-14(12(9)16)18-15(17-13)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole?
7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole has a molecular weight of 302.17 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4,6-dimethyl-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 82234163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).