6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride

C11H15ClN2O2 — CID 54592974

IUPAC6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride
SMILESCC(C)C(N)c1ccc2[nH]c(=O)oc2c1.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-6(2)10(12)7-3-4-8-9(5-7)15-11(14)13-8;/h3-6,10H,12H2,1-2H3,(H,13,14);1H
InChIKeyORHYXZNICJBVRP-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.20
Rot. Bonds2

About 6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride

6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride (PubChem CID 54592974) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride.

Molecular Properties

Compound Name6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride
PubChem CID54592974
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride
SMILESCC(C)C(N)c1ccc2[nH]c(=O)oc2c1.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-6(2)10(12)7-3-4-8-9(5-7)15-11(14)13-8;/h3-6,10H,12H2,1-2H3,(H,13,14);1H
InChIKeyORHYXZNICJBVRP-UHFFFAOYSA-N
XLogP2.20
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 43139983
6-(1-amino-3-methylbutan-2-yl)-3H-1,3-benzoxazol-2-one
CID 82494013
2-[amino-(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanenitrile
CID 116946233
6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one
CID 126621176
6-(1,2-diaminoethyl)-3H-1,3-benzoxazol-2-one
CID 116855514
6-[amino-(4-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43140010
6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 65151595
6-[1-amino-2-methyl-2-(methylamino)propyl]-3H-1,3-benzoxazol-2-one
CID 116938938
6-[amino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 114819848
6-(1-bromo-2-oxopropyl)-3H-1,3-benzoxazol-2-one
CID 116859829
6-(1-chloro-3-methylbutyl)-3H-1,3-benzoxazol-2-one
CID 61086442
5-(1,3-diamino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 116933145

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride?
The IUPAC name of 6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride (CID 54592974) is 6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride.
What is the SMILES notation for 6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride?
The canonical SMILES for 6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride is CC(C)C(N)c1ccc2[nH]c(=O)oc2c1.Cl.
What is the InChIKey of 6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride?
The InChIKey is ORHYXZNICJBVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.ClH/c1-6(2)10(12)7-3-4-8-9(5-7)15-11(14)13-8;/h3-6,10H,12H2,1-2H3,(H,13,14);1H.
What are the key properties of 6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride?
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride is sourced from PubChem (CID 54592974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).