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

C10H9NO4 — CID 84820117

IUPACmethyl 5-methoxy-1,2-benzoxazole-3-carboxylate
SMILESCOC(=O)c1noc2ccc(OC)cc12
InChIInChI=1S/C10H9NO4/c1-13-6-3-4-8-7(5-6)9(11-15-8)10(12)14-2/h3-5H,1-2H3
InChIKeyUXTZSMRXNWXVMO-UHFFFAOYSA-N
MW207.18 g/mol
LogP1.62
Rot. Bonds2

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

methyl 5-methoxy-1,2-benzoxazole-3-carboxylate (PubChem CID 84820117) has the molecular formula C10H9NO4 and a molecular weight of 207.18 g/mol. Its IUPAC name is methyl 5-methoxy-1,2-benzoxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-1,2-benzoxazole-3-carboxylate
PubChem CID84820117
Molecular FormulaC10H9NO4
Molecular Weight207.18 g/mol
Exact Mass207.05
IUPAC Namemethyl 5-methoxy-1,2-benzoxazole-3-carboxylate
SMILESCOC(=O)c1noc2ccc(OC)cc12
InChIInChI=1S/C10H9NO4/c1-13-6-3-4-8-7(5-6)9(11-15-8)10(12)14-2/h3-5H,1-2H3
InChIKeyUXTZSMRXNWXVMO-UHFFFAOYSA-N
XLogP1.62
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methoxy-1,2-benzoxazol-3-yl)benzoic acid
CID 59828587
3-(dibromomethyl)-5-methoxy-1,2-benzoxazole
CID 119090324
ethyl 5-methyl-1,2-benzoxazole-3-carboxylate
CID 118564146
N-[(2,5-dimethoxyphenyl)methyl]-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
CID 53132757
methyl 3-(trifluoromethyl)-1,2-benzoxazole-5-carboxylate
CID 91756191
methyl 5-methoxy-1-benzoselenophene-3-carboxylate
CID 15503768
methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate
CID 70461005
N-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide
CID 138055490
methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
methyl 3-(6-methoxy-4-oxo-1,3-benzoxazin-2-yl)benzoate
CID 67890566
1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
CID 6625903

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-1,2-benzoxazole-3-carboxylate?
The IUPAC name of methyl 5-methoxy-1,2-benzoxazole-3-carboxylate (CID 84820117) is methyl 5-methoxy-1,2-benzoxazole-3-carboxylate.
What is the SMILES notation for methyl 5-methoxy-1,2-benzoxazole-3-carboxylate?
The canonical SMILES for methyl 5-methoxy-1,2-benzoxazole-3-carboxylate is COC(=O)c1noc2ccc(OC)cc12.
What is the InChIKey of methyl 5-methoxy-1,2-benzoxazole-3-carboxylate?
The InChIKey is UXTZSMRXNWXVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-13-6-3-4-8-7(5-6)9(11-15-8)10(12)14-2/h3-5H,1-2H3.
What are the key properties of methyl 5-methoxy-1,2-benzoxazole-3-carboxylate?
methyl 5-methoxy-1,2-benzoxazole-3-carboxylate has a molecular weight of 207.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-1,2-benzoxazole-3-carboxylate is sourced from PubChem (CID 84820117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).