methyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate

C11H13NO4 — CID 59723692

IUPACmethyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate
SMILESCOC(=O)N1COc2c(OC)cc(C)cc21
InChIInChI=1S/C11H13NO4/c1-7-4-8-10(9(5-7)14-2)16-6-12(8)11(13)15-3/h4-5H,6H2,1-3H3
InChIKeySDGKPTVVBITVEE-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.93
Rot. Bonds1

About methyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate

methyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate (PubChem CID 59723692) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate
PubChem CID59723692
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate
SMILESCOC(=O)N1COc2c(OC)cc(C)cc21
InChIInChI=1S/C11H13NO4/c1-7-4-8-10(9(5-7)14-2)16-6-12(8)11(13)15-3/h4-5H,6H2,1-3H3
InChIKeySDGKPTVVBITVEE-UHFFFAOYSA-N
XLogP1.93
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate 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

methyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate
CID 165462888
N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521365
1-[(4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 167633246
methyl 5-[hydroxy(methoxy)methylidene]-4-oxo-1,3-oxazolidine-3-carboxylate
CID 71401412
methyl 5-methyl-2H-1,3-oxazole-3-carboxylate
CID 142755088
tert-butyl 8-bromo-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 83773515
[3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol
CID 116930388
methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
CID 110803244
3-(2-methoxy-4,6-dimethylphenyl)oxetane-3-carboxylic acid
CID 116871795
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 167639273
methyl 2-iodo-3-methoxy-5-methylbenzoate
CID 14138386

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate?
The IUPAC name of methyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate (CID 59723692) is methyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate.
What is the SMILES notation for methyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate?
The canonical SMILES for methyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate is COC(=O)N1COc2c(OC)cc(C)cc21.
What is the InChIKey of methyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate?
The InChIKey is SDGKPTVVBITVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7-4-8-10(9(5-7)14-2)16-6-12(8)11(13)15-3/h4-5H,6H2,1-3H3.
What are the key properties of methyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate?
methyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-5-methyl-2H-1,3-benzoxazole-3-carboxylate is sourced from PubChem (CID 59723692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).