6-bromo-4-methyl-1,2-benzoxazol-3-amine

C8H7BrN2O — CID 169496974

IUPAC6-bromo-4-methyl-1,2-benzoxazol-3-amine
SMILESCc1cc(Br)cc2onc(N)c12
InChIInChI=1S/C8H7BrN2O/c1-4-2-5(9)3-6-7(4)8(10)11-12-6/h2-3H,1H3,(H2,10,11)
InChIKeyGBNKHSPIEHIHFH-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.48
Rot. Bonds

About 6-bromo-4-methyl-1,2-benzoxazol-3-amine

6-bromo-4-methyl-1,2-benzoxazol-3-amine (PubChem CID 169496974) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 6-bromo-4-methyl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name6-bromo-4-methyl-1,2-benzoxazol-3-amine
PubChem CID169496974
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name6-bromo-4-methyl-1,2-benzoxazol-3-amine
SMILESCc1cc(Br)cc2onc(N)c12
InChIInChI=1S/C8H7BrN2O/c1-4-2-5(9)3-6-7(4)8(10)11-12-6/h2-3H,1H3,(H2,10,11)
InChIKeyGBNKHSPIEHIHFH-UHFFFAOYSA-N
XLogP2.48
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
CID 79002352
5-(4-bromo-2-methylphenyl)-4-chloro-1,2-oxazol-3-amine
CID 79557098
5-methylfuro[2,3-d][1,2]oxazol-3-amine
CID 82418489
6-chloro-4-iodo-1,2-benzoxazol-3-amine
CID 171548030
4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline
CID 161284183
5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine
CID 171469790
acetylene;5-bromo-3-methylpyridin-2-amine
CID 143713181
2,4-dibromo-6-methylaniline;dihydrobromide
CID 175177436
4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 79555953
4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66201499
4-chloro-5-methyl-7-propan-2-yl-1,2-benzoxazol-3-amine
CID 167106473
6-bromo-N,N-dimethyl-1,2-benzoxazol-3-amine
CID 131839714

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-1,2-benzoxazol-3-amine?
The IUPAC name of 6-bromo-4-methyl-1,2-benzoxazol-3-amine (CID 169496974) is 6-bromo-4-methyl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 6-bromo-4-methyl-1,2-benzoxazol-3-amine?
The canonical SMILES for 6-bromo-4-methyl-1,2-benzoxazol-3-amine is Cc1cc(Br)cc2onc(N)c12.
What is the InChIKey of 6-bromo-4-methyl-1,2-benzoxazol-3-amine?
The InChIKey is GBNKHSPIEHIHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-4-2-5(9)3-6-7(4)8(10)11-12-6/h2-3H,1H3,(H2,10,11).
What are the key properties of 6-bromo-4-methyl-1,2-benzoxazol-3-amine?
6-bromo-4-methyl-1,2-benzoxazol-3-amine has a molecular weight of 227.06 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 169496974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).