methyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate

C12H11NO4 — CID 118720203

IUPACmethyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate
SMILESCOC(=O)c1cc(-c2cnco2)ccc1OC
InChIInChI=1S/C12H11NO4/c1-15-10-4-3-8(11-6-13-7-17-11)5-9(10)12(14)16-2/h3-7H,1-2H3
InChIKeyZRTNRWTTWGLRMX-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.14
Rot. Bonds3

About methyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate

methyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate (PubChem CID 118720203) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is methyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate
PubChem CID118720203
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Namemethyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate
SMILESCOC(=O)c1cc(-c2cnco2)ccc1OC
InChIInChI=1S/C12H11NO4/c1-15-10-4-3-8(11-6-13-7-17-11)5-9(10)12(14)16-2/h3-7H,1-2H3
InChIKeyZRTNRWTTWGLRMX-UHFFFAOYSA-N
XLogP2.14
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462
methyl 2-methoxy-5-(4-nitrophenyl)benzoate
CID 69207939
N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]aniline
CID 173348993
2-(2-chlorophenyl)-N-[2-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 90177371
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-(1,3-oxazol-5-yl)aniline
CID 73353928
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxybenzoate
CID 169402123
4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide
CID 55889947
ethane;5-(2-methoxy-4-methylphenyl)-1,3-oxazole
CID 143041662
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
CID 18464864
methyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate
CID 25030257
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate?
The IUPAC name of methyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate (CID 118720203) is methyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate.
What is the SMILES notation for methyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate?
The canonical SMILES for methyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate is COC(=O)c1cc(-c2cnco2)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate?
The InChIKey is ZRTNRWTTWGLRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-15-10-4-3-8(11-6-13-7-17-11)5-9(10)12(14)16-2/h3-7H,1-2H3.
What are the key properties of methyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate?
methyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate has a molecular weight of 233.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-(1,3-oxazol-5-yl)benzoate is sourced from PubChem (CID 118720203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).