6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one

C11H14N2O3 — CID 116961538

IUPAC6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCNC(OC)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C11H14N2O3/c1-12-10(15-3)7-4-5-8-9(6-7)16-11(14)13(8)2/h4-6,10,12H,1-3H3
InChIKeyIAHWPSJXSNADOM-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.00
Rot. Bonds3

About 6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one

6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 116961538) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID116961538
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCNC(OC)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C11H14N2O3/c1-12-10(15-3)7-4-5-8-9(6-7)16-11(14)13(8)2/h4-6,10,12H,1-3H3
InChIKeyIAHWPSJXSNADOM-UHFFFAOYSA-N
XLogP1.00
TPSA56.40 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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methyl-6-[1-(methylamino)-2-sulfanylethyl]-1,3-benzoxazol-2-one
CID 116830693
3-methyl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]-1,3-benzoxazol-2-one
CID 62273831
6-(1-chloro-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62300717
6-[3-amino-1-(methylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 116948451
6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 81122099
6-[1,4-bis(methylamino)butyl]-3-methyl-1,3-benzoxazol-2-one
CID 116949489
6-(1-bromo-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62301096
6-[2-(hydroxymethyl)-1-(methylamino)butyl]-3-methyl-1,3-benzoxazol-2-one
CID 116959922
1-[methylamino-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]cyclopropane-1-carbonitrile
CID 116958066
6-[bromo(dimethylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116915103
3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one
CID 81329934
6-(1,2-diamino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932681

Frequently Asked Questions

What is the IUPAC name of 6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one (CID 116961538) is 6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one is CNC(OC)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is IAHWPSJXSNADOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-12-10(15-3)7-4-5-8-9(6-7)16-11(14)13(8)2/h4-6,10,12H,1-3H3.
What are the key properties of 6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one?
6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 222.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 116961538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).