6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one

C11H14N2O3 — CID 115258422

IUPAC6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one
SMILESCOCN(C)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C11H14N2O3/c1-12(7-15-3)8-4-5-9-10(6-8)16-11(14)13(9)2/h4-6H,7H2,1-3H3
InChIKeyJTNDAVASUGUVHO-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.17
Rot. Bonds3

About 6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one

6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 115258422) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one
PubChem CID115258422
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one
SMILESCOCN(C)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C11H14N2O3/c1-12(7-15-3)8-4-5-9-10(6-8)16-11(14)13(9)2/h4-6H,7H2,1-3H3
InChIKeyJTNDAVASUGUVHO-UHFFFAOYSA-N
XLogP1.17
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
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

6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932265
6-[3-aminobutyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one
CID 115199203
methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid
CID 115170784
methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamothioic S-acid
CID 115169878
3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide
CID 115138921
2-[methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]cyclopropane-1-carboxylic acid
CID 117042610
4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide
CID 115155233
6-[[aminomethyl(methyl)amino]methyl]-3-methyl-1,3-benzoxazol-2-one
CID 115225940
5-[(2-amino-3-hydroxypropyl)-methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 115120469
3-methyl-6-[[methyl(2-sulfanylethyl)amino]methyl]-1,3-benzoxazol-2-one
CID 115224142
5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one
CID 117043635
6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 14751611

Frequently Asked Questions

What is the IUPAC name of 6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one (CID 115258422) is 6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one is COCN(C)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is JTNDAVASUGUVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-12(7-15-3)8-4-5-9-10(6-8)16-11(14)13(9)2/h4-6H,7H2,1-3H3.
What are the key properties of 6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one?
6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 222.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 115258422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).