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

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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).