5-(methoxymethylamino)-3-methyl-1,3-benzoxazol-2-one

C10H12N2O3 — CID 115258275

IUPAC5-(methoxymethylamino)-3-methyl-1,3-benzoxazol-2-one
SMILESCOCNc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C10H12N2O3/c1-12-8-5-7(11-6-14-2)3-4-9(8)15-10(12)13/h3-5,11H,6H2,1-2H3
InChIKeyIFSZSEUONJLXHS-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.15
Rot. Bonds3

About 5-(methoxymethylamino)-3-methyl-1,3-benzoxazol-2-one

5-(methoxymethylamino)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 115258275) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-(methoxymethylamino)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(methoxymethylamino)-3-methyl-1,3-benzoxazol-2-one
PubChem CID115258275
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name5-(methoxymethylamino)-3-methyl-1,3-benzoxazol-2-one
SMILESCOCNc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C10H12N2O3/c1-12-8-5-7(11-6-14-2)3-4-9(8)15-10(12)13/h3-5,11H,6H2,1-2H3
InChIKeyIFSZSEUONJLXHS-UHFFFAOYSA-N
XLogP1.15
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.15
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

methyl 4-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]butanoate
CID 115233318
3-methyl-5-(3-oxobutylamino)-1,3-benzoxazol-2-one
CID 115235442
5-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-methyl-1,3-benzoxazol-2-one
CID 115133179
3-hydroxy-4-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115122894
2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione
CID 75478267
2-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]propanenitrile
CID 115129047
5-[[1-(hydroxymethyl)cyclobutyl]methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 115246757
5-(2-aminoanilino)-3-methyl-1,3-benzoxazol-2-one
CID 115124313
6-(2,3-diaminopropylamino)-3-methyl-1,3-benzoxazol-2-one
CID 115119444
3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 83547008
3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589
2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]propanenitrile
CID 115129916

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethylamino)-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-(methoxymethylamino)-3-methyl-1,3-benzoxazol-2-one (CID 115258275) is 5-(methoxymethylamino)-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(methoxymethylamino)-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(methoxymethylamino)-3-methyl-1,3-benzoxazol-2-one is COCNc1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of 5-(methoxymethylamino)-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is IFSZSEUONJLXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-12-8-5-7(11-6-14-2)3-4-9(8)15-10(12)13/h3-5,11H,6H2,1-2H3.
What are the key properties of 5-(methoxymethylamino)-3-methyl-1,3-benzoxazol-2-one?
5-(methoxymethylamino)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 208.22 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethylamino)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 115258275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).