5-bromo-3-methyl-2,1-benzoxazole;ethane

C10H12BrNO — CID 90694027

IUPAC5-bromo-3-methyl-2,1-benzoxazole;ethane
SMILESCC.Cc1onc2ccc(Br)cc12
InChIInChI=1S/C8H6BrNO.C2H6/c1-5-7-4-6(9)2-3-8(7)10-11-5;1-2/h2-4H,1H3;1-2H3
InChIKeyOMNVQEKKDTXAGN-UHFFFAOYSA-N
MW242.12 g/mol
LogP3.92
Rot. Bonds

About 5-bromo-3-methyl-2,1-benzoxazole;ethane

5-bromo-3-methyl-2,1-benzoxazole;ethane (PubChem CID 90694027) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 5-bromo-3-methyl-2,1-benzoxazole;ethane.

Molecular Properties

Compound Name5-bromo-3-methyl-2,1-benzoxazole;ethane
PubChem CID90694027
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name5-bromo-3-methyl-2,1-benzoxazole;ethane
SMILESCC.Cc1onc2ccc(Br)cc12
InChIInChI=1S/C8H6BrNO.C2H6/c1-5-7-4-6(9)2-3-8(7)10-11-5;1-2/h2-4H,1H3;1-2H3
InChIKeyOMNVQEKKDTXAGN-UHFFFAOYSA-N
XLogP3.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-cyclopropyl-2,1-benzoxazol-3-amine
CID 84707797
3-(3-methyl-2,1-benzoxazol-5-yl)propanoic acid
CID 105457077
3-methyl-5-(1-methylpyrazol-4-yl)-2,1-benzoxazole
CID 23537432
6-bromo-2-chloro-4-methylquinoline;ethane
CID 153393887
8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620040
N-(6-bromo-3-nitroquinolin-4-yl)-3,5-dimethyl-1,2-oxazol-4-amine
CID 59620045
N-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine
CID 84805431
4-bromo-3-methyl-2,1-benzoxazole
CID 105465683
(6-bromo-4-methylquinolin-2-yl)methanamine
CID 83527571
6-bromo-3,4-diethyl-2-methylquinoline
CID 125452623
4-bromo-1-ethenyl-2-[(Z)-prop-1-enyl]benzene;ethane
CID 142150978
6-bromo-4-methylquinoline-3-thiol;methanamine
CID 155715613

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2,1-benzoxazole;ethane?
The IUPAC name of 5-bromo-3-methyl-2,1-benzoxazole;ethane (CID 90694027) is 5-bromo-3-methyl-2,1-benzoxazole;ethane.
What is the SMILES notation for 5-bromo-3-methyl-2,1-benzoxazole;ethane?
The canonical SMILES for 5-bromo-3-methyl-2,1-benzoxazole;ethane is CC.Cc1onc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-2,1-benzoxazole;ethane?
The InChIKey is OMNVQEKKDTXAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO.C2H6/c1-5-7-4-6(9)2-3-8(7)10-11-5;1-2/h2-4H,1H3;1-2H3.
What are the key properties of 5-bromo-3-methyl-2,1-benzoxazole;ethane?
5-bromo-3-methyl-2,1-benzoxazole;ethane has a molecular weight of 242.12 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2,1-benzoxazole;ethane is sourced from PubChem (CID 90694027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).