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

C10H11NO3 — CID 116932265

IUPAC6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one
SMILESCOCc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C10H11NO3/c1-11-8-4-3-7(6-13-2)5-9(8)14-10(11)12/h3-5H,6H2,1-2H3
InChIKeyZQTATJLSZBAKQO-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.28
Rot. Bonds2

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

6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 116932265) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one
PubChem CID116932265
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one
SMILESCOCc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C10H11NO3/c1-11-8-4-3-7(6-13-2)5-9(8)14-10(11)12/h3-5H,6H2,1-2H3
InChIKeyZQTATJLSZBAKQO-UHFFFAOYSA-N
XLogP1.28
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one
CID 115258422
6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 82494051
3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one
CID 116926141
2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide
CID 116843407
6-(diazenylmethyl)-3-methyl-1,3-benzoxazol-2-one
CID 89345926
6-[[aminomethyl(methyl)amino]methyl]-3-methyl-1,3-benzoxazol-2-one
CID 115225940
6-(azetidin-3-ylmethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116925346
3-methyl-6-[[methyl(2-sulfanylethyl)amino]methyl]-1,3-benzoxazol-2-one
CID 115224142
2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide
CID 110411265
6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 22433803
6-[2-(aminomethyl)-3-methylbutyl]-3-methyl-1,3-benzoxazol-2-one
CID 116931129
N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-2-oxopropanamide
CID 115175681

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one (CID 116932265) is 6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one is COCc1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is ZQTATJLSZBAKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11-8-4-3-7(6-13-2)5-9(8)14-10(11)12/h3-5H,6H2,1-2H3.
What are the key properties of 6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one?
6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 193.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 116932265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).