methyl 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate

C12H11NO3 — CID 3154110

IUPACmethyl 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2)on1
InChIInChI=1S/C12H11NO3/c1-8-3-5-9(6-4-8)11-7-10(13-16-11)12(14)15-2/h3-7H,1-2H3
InChIKeyXUONPUJASNHQGZ-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.44
Rot. Bonds2

About methyl 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate

methyl 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate (PubChem CID 3154110) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate
PubChem CID3154110
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2)on1
InChIInChI=1S/C12H11NO3/c1-8-3-5-9(6-4-8)11-7-10(13-16-11)12(14)15-2/h3-7H,1-2H3
InChIKeyXUONPUJASNHQGZ-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 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate (CID 3154110) is methyl 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2ccc(C)cc2)on1.
What is the InChIKey of methyl 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate?
The InChIKey is XUONPUJASNHQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8-3-5-9(6-4-8)11-7-10(13-16-11)12(14)15-2/h3-7H,1-2H3.
What are the key properties of methyl 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate?
methyl 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate 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 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 3154110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).