1-(2-amino-5-methyl-1,3-benzoxazol-7-yl)ethanone;hydrochloride

C10H11ClN2O2 — CID 91659258

IUPAC1-(2-amino-5-methyl-1,3-benzoxazol-7-yl)ethanone;hydrochloride
SMILESCC(=O)c1cc(C)cc2nc(N)oc12.Cl
InChIInChI=1S/C10H10N2O2.ClH/c1-5-3-7(6(2)13)9-8(4-5)12-10(11)14-9;/h3-4H,1-2H3,(H2,11,12);1H
InChIKeyJBSNWEQNUFKGAB-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.34
Rot. Bonds1

About 1-(2-amino-5-methyl-1,3-benzoxazol-7-yl)ethanone;hydrochloride

1-(2-amino-5-methyl-1,3-benzoxazol-7-yl)ethanone;hydrochloride (PubChem CID 91659258) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 1-(2-amino-5-methyl-1,3-benzoxazol-7-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2-amino-5-methyl-1,3-benzoxazol-7-yl)ethanone;hydrochloride
PubChem CID91659258
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name1-(2-amino-5-methyl-1,3-benzoxazol-7-yl)ethanone;hydrochloride
SMILESCC(=O)c1cc(C)cc2nc(N)oc12.Cl
InChIInChI=1S/C10H10N2O2.ClH/c1-5-3-7(6(2)13)9-8(4-5)12-10(11)14-9;/h3-4H,1-2H3,(H2,11,12);1H
InChIKeyJBSNWEQNUFKGAB-UHFFFAOYSA-N
XLogP2.34
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methyl-1,3-benzoxazol-7-yl)ethanone;hydrochloride?
The IUPAC name of 1-(2-amino-5-methyl-1,3-benzoxazol-7-yl)ethanone;hydrochloride (CID 91659258) is 1-(2-amino-5-methyl-1,3-benzoxazol-7-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(2-amino-5-methyl-1,3-benzoxazol-7-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(2-amino-5-methyl-1,3-benzoxazol-7-yl)ethanone;hydrochloride is CC(=O)c1cc(C)cc2nc(N)oc12.Cl.
What is the InChIKey of 1-(2-amino-5-methyl-1,3-benzoxazol-7-yl)ethanone;hydrochloride?
The InChIKey is JBSNWEQNUFKGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.ClH/c1-5-3-7(6(2)13)9-8(4-5)12-10(11)14-9;/h3-4H,1-2H3,(H2,11,12);1H.
What are the key properties of 1-(2-amino-5-methyl-1,3-benzoxazol-7-yl)ethanone;hydrochloride?
1-(2-amino-5-methyl-1,3-benzoxazol-7-yl)ethanone;hydrochloride has a molecular weight of 226.66 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methyl-1,3-benzoxazol-7-yl)ethanone;hydrochloride is sourced from PubChem (CID 91659258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).