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

C15H12BrNO2 — CID 50849295

IUPAC7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
SMILESCOc1cc(Br)c2oc(-c3ccccc3C)nc2c1
InChIInChI=1S/C15H12BrNO2/c1-9-5-3-4-6-11(9)15-17-13-8-10(18-2)7-12(16)14(13)19-15/h3-8H,1-2H3
InChIKeyUMLYTJPOLSIYFT-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.57
Rot. Bonds2

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

7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole (PubChem CID 50849295) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
PubChem CID50849295
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
SMILESCOc1cc(Br)c2oc(-c3ccccc3C)nc2c1
InChIInChI=1S/C15H12BrNO2/c1-9-5-3-4-6-11(9)15-17-13-8-10(18-2)7-12(16)14(13)19-15/h3-8H,1-2H3
InChIKeyUMLYTJPOLSIYFT-UHFFFAOYSA-N
XLogP4.57
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 51983742
5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 95910994
4-(7-bromo-5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 50849277
7-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one
CID 10400771
6-methoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one
CID 10400770
7-bromo-5-methoxy-2-[4-methyl-3-(1,2,4-triazol-4-yl)phenyl]-1,3-benzoxazole
CID 50849758
2-(2-methylphenyl)-1,3-benzoxazol-7-ol
CID 84689691
5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine
CID 104728767
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690900
5-bromo-2-(2-bromo-3-methylphenyl)-1,3-benzoxazol-7-amine
CID 107982320
7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole
CID 95910719

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole?
The IUPAC name of 7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole (CID 50849295) is 7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole?
The canonical SMILES for 7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole is COc1cc(Br)c2oc(-c3ccccc3C)nc2c1.
What is the InChIKey of 7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole?
The InChIKey is UMLYTJPOLSIYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c1-9-5-3-4-6-11(9)15-17-13-8-10(18-2)7-12(16)14(13)19-15/h3-8H,1-2H3.
What are the key properties of 7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole?
7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole has a molecular weight of 318.17 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 50849295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).