7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole

C15H12BrNO — CID 51983742

IUPAC7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
SMILESCc1cc(Br)c2oc(-c3ccccc3C)nc2c1
InChIInChI=1S/C15H12BrNO/c1-9-7-12(16)14-13(8-9)17-15(18-14)11-6-4-3-5-10(11)2/h3-8H,1-2H3
InChIKeyPOPMNMCYQLAVQX-UHFFFAOYSA-N
MW302.17 g/mol
LogP4.87
Rot. Bonds1

About 7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole

7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole (PubChem CID 51983742) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is 7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
PubChem CID51983742
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
SMILESCc1cc(Br)c2oc(-c3ccccc3C)nc2c1
InChIInChI=1S/C15H12BrNO/c1-9-7-12(16)14-13(8-9)17-15(18-14)11-6-4-3-5-10(11)2/h3-8H,1-2H3
InChIKeyPOPMNMCYQLAVQX-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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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole?
The IUPAC name of 7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole (CID 51983742) is 7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole?
The canonical SMILES for 7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole is Cc1cc(Br)c2oc(-c3ccccc3C)nc2c1.
What is the InChIKey of 7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole?
The InChIKey is POPMNMCYQLAVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c1-9-7-12(16)14-13(8-9)17-15(18-14)11-6-4-3-5-10(11)2/h3-8H,1-2H3.
What are the key properties of 7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole?
7-bromo-5-methyl-2-(2-methylphenyl)-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-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 51983742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).