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

C14H10BrNO — CID 82233864

IUPAC7-bromo-2-(3-methylphenyl)-1,3-benzoxazole
SMILESCc1cccc(-c2nc3cccc(Br)c3o2)c1
InChIInChI=1S/C14H10BrNO/c1-9-4-2-5-10(8-9)14-16-12-7-3-6-11(15)13(12)17-14/h2-8H,1H3
InChIKeyUIVOASRVNVIVOW-UHFFFAOYSA-N
MW288.14 g/mol
LogP4.57
Rot. Bonds1

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

7-bromo-2-(3-methylphenyl)-1,3-benzoxazole (PubChem CID 82233864) has the molecular formula C14H10BrNO and a molecular weight of 288.14 g/mol. Its IUPAC name is 7-bromo-2-(3-methylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-bromo-2-(3-methylphenyl)-1,3-benzoxazole
PubChem CID82233864
Molecular FormulaC14H10BrNO
Molecular Weight288.14 g/mol
Exact Mass286.99
IUPAC Name7-bromo-2-(3-methylphenyl)-1,3-benzoxazole
SMILESCc1cccc(-c2nc3cccc(Br)c3o2)c1
InChIInChI=1S/C14H10BrNO/c1-9-4-2-5-10(8-9)14-16-12-7-3-6-11(15)13(12)17-14/h2-8H,1H3
InChIKeyUIVOASRVNVIVOW-UHFFFAOYSA-N
XLogP4.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-bromo-1,3-benzoxazol-2-yl)aniline
CID 79017519
5-bromo-2-(3-methylphenyl)-1,3-benzoxazol-7-amine
CID 82095595
7-bromo-2-(3-fluorophenyl)-5-methyl-1,3-benzoxazole
CID 82095605
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
N-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine
CID 91677568
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
3-(7-bromo-1,3-benzoxazol-2-yl)naphthalen-2-amine
CID 81496235
2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline
CID 81496027
7-bromo-2-(3,4-dichlorophenyl)-5-methyl-1,3-benzoxazole
CID 51983759
7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole
CID 15259011
4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol
CID 135415997
6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole
CID 135041335

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3-methylphenyl)-1,3-benzoxazole?
The IUPAC name of 7-bromo-2-(3-methylphenyl)-1,3-benzoxazole (CID 82233864) is 7-bromo-2-(3-methylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 7-bromo-2-(3-methylphenyl)-1,3-benzoxazole?
The canonical SMILES for 7-bromo-2-(3-methylphenyl)-1,3-benzoxazole is Cc1cccc(-c2nc3cccc(Br)c3o2)c1.
What is the InChIKey of 7-bromo-2-(3-methylphenyl)-1,3-benzoxazole?
The InChIKey is UIVOASRVNVIVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO/c1-9-4-2-5-10(8-9)14-16-12-7-3-6-11(15)13(12)17-14/h2-8H,1H3.
What are the key properties of 7-bromo-2-(3-methylphenyl)-1,3-benzoxazole?
7-bromo-2-(3-methylphenyl)-1,3-benzoxazole has a molecular weight of 288.14 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(3-methylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 82233864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).