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

C12H11NO3 — CID 1259271

IUPACmethyl 2-(3-methyl-1,2-oxazol-5-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1cc(C)no1
InChIInChI=1S/C12H11NO3/c1-8-7-11(16-13-8)9-5-3-4-6-10(9)12(14)15-2/h3-7H,1-2H3
InChIKeyAZPOFJVSWSMLMJ-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.44
Rot. Bonds2

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

methyl 2-(3-methyl-1,2-oxazol-5-yl)benzoate (PubChem CID 1259271) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 2-(3-methyl-1,2-oxazol-5-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-1,2-oxazol-5-yl)benzoate
PubChem CID1259271
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 2-(3-methyl-1,2-oxazol-5-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1cc(C)no1
InChIInChI=1S/C12H11NO3/c1-8-7-11(16-13-8)9-5-3-4-6-10(9)12(14)15-2/h3-7H,1-2H3
InChIKeyAZPOFJVSWSMLMJ-UHFFFAOYSA-N
XLogP2.44
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-1,2-oxazol-5-yl)benzoate?
The IUPAC name of methyl 2-(3-methyl-1,2-oxazol-5-yl)benzoate (CID 1259271) is methyl 2-(3-methyl-1,2-oxazol-5-yl)benzoate.
What is the SMILES notation for methyl 2-(3-methyl-1,2-oxazol-5-yl)benzoate?
The canonical SMILES for methyl 2-(3-methyl-1,2-oxazol-5-yl)benzoate is COC(=O)c1ccccc1-c1cc(C)no1.
What is the InChIKey of methyl 2-(3-methyl-1,2-oxazol-5-yl)benzoate?
The InChIKey is AZPOFJVSWSMLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8-7-11(16-13-8)9-5-3-4-6-10(9)12(14)15-2/h3-7H,1-2H3.
What are the key properties of methyl 2-(3-methyl-1,2-oxazol-5-yl)benzoate?
methyl 2-(3-methyl-1,2-oxazol-5-yl)benzoate has a molecular weight of 217.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-1,2-oxazol-5-yl)benzoate is sourced from PubChem (CID 1259271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).