5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one

C11H14N2O3 — CID 117317967

IUPAC5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2ccc(CON)cc21
InChIInChI=1S/C11H14N2O3/c1-7(2)13-9-5-8(6-15-12)3-4-10(9)16-11(13)14/h3-5,7H,6,12H2,1-2H3
InChIKeyADVXEIFDZCZYMX-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.57
Rot. Bonds3

About 5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one

5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one (PubChem CID 117317967) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one
PubChem CID117317967
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2ccc(CON)cc21
InChIInChI=1S/C11H14N2O3/c1-7(2)13-9-5-8(6-15-12)3-4-10(9)16-11(13)14/h3-5,7H,6,12H2,1-2H3
InChIKeyADVXEIFDZCZYMX-UHFFFAOYSA-N
XLogP1.57
TPSA70.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 59379708
5-(1-aminopropan-2-yl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 117340798
5-[(E)-3-aminoprop-1-enyl]-3-propan-2-yl-1,3-benzoxazol-2-one
CID 117336556
methyl 2-oxo-3-propan-2-yl-1,3-benzoxazole-5-carboxylate
CID 167310876
ethyl 2-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-5-yl)oxy]acetate
CID 70842795
5-(3-amino-1,2-oxazol-5-yl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 117401361
3-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 122696847
6-fluoro-3-propan-2-yl-1,3-benzoxazol-2-one
CID 89210533
(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium
CID 143272906
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide
CID 43447842
6-(3-amino-1-hydroxypropyl)-3-propan-2-yl-1,3-benzoxazol-2-one
CID 82341318
1-propan-2-yl-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 122697151

Frequently Asked Questions

What is the IUPAC name of 5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one?
The IUPAC name of 5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one (CID 117317967) is 5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one is CC(C)n1c(=O)oc2ccc(CON)cc21.
What is the InChIKey of 5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one?
The InChIKey is ADVXEIFDZCZYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(2)13-9-5-8(6-15-12)3-4-10(9)16-11(13)14/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one?
5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one has a molecular weight of 222.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminooxymethyl)-3-propan-2-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 117317967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).