7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one

C10H11BrN2O2 — CID 83903533

IUPAC7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2c(CCN)cc(Br)cc21
InChIInChI=1S/C10H11BrN2O2/c1-13-8-5-7(11)4-6(2-3-12)9(8)15-10(13)14/h4-5H,2-3,12H2,1H3
InChIKeyQGJIEMHQDMFLIK-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.40
Rot. Bonds2

About 7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one

7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one (PubChem CID 83903533) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one
PubChem CID83903533
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2c(CCN)cc(Br)cc21
InChIInChI=1S/C10H11BrN2O2/c1-13-8-5-7(11)4-6(2-3-12)9(8)15-10(13)14/h4-5H,2-3,12H2,1H3
InChIKeyQGJIEMHQDMFLIK-UHFFFAOYSA-N
XLogP1.40
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2-aminoethyl)-5-bromo-3H-1,3-benzoxazol-2-one
CID 83901397
8-(2-aminoethyl)-6-bromo-4-methyl-1,4-benzoxazin-3-one
CID 82275405
7-bromo-5-ethyl-3-methyl-1,3-benzoxazol-2-one
CID 82095446
2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine
CID 83488858
2-(5-bromo-1-benzofuran-7-yl)ethanamine
CID 83898775
2-(5-bromo-1-methylindol-3-yl)ethanamine
CID 71560076
7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one
CID 84665255
7-amino-3-methyl-5-propan-2-yl-1,3-benzoxazol-2-one
CID 82095332
5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one
CID 82095331
2-(2,4-dibromophenyl)ethanamine
CID 73012416
5-bromo-3-(2-hydroxyethyl)-1,3-benzoxazol-2-one
CID 169260396
5-(2-amino-1-phenylethyl)-3-methyl-1,3-benzoxazol-2-one
CID 82501887

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one (CID 83903533) is 7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2c(CCN)cc(Br)cc21.
What is the InChIKey of 7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is QGJIEMHQDMFLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-13-8-5-7(11)4-6(2-3-12)9(8)15-10(13)14/h4-5H,2-3,12H2,1H3.
What are the key properties of 7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one?
7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 271.11 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 83903533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).