methyl 4,5-dimethyl-1,3-oxazole-2-carboxylate

C7H9NO3 — CID 54160887

IUPACmethyl 4,5-dimethyl-1,3-oxazole-2-carboxylate
SMILESCOC(=O)c1nc(C)c(C)o1
InChIInChI=1S/C7H9NO3/c1-4-5(2)11-6(8-4)7(9)10-3/h1-3H3
InChIKeyOOHXVXBRFGMDJS-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.08
Rot. Bonds1

About methyl 4,5-dimethyl-1,3-oxazole-2-carboxylate

methyl 4,5-dimethyl-1,3-oxazole-2-carboxylate (PubChem CID 54160887) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is methyl 4,5-dimethyl-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethyl-1,3-oxazole-2-carboxylate
PubChem CID54160887
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namemethyl 4,5-dimethyl-1,3-oxazole-2-carboxylate
SMILESCOC(=O)c1nc(C)c(C)o1
InChIInChI=1S/C7H9NO3/c1-4-5(2)11-6(8-4)7(9)10-3/h1-3H3
InChIKeyOOHXVXBRFGMDJS-UHFFFAOYSA-N
XLogP1.08
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethyl-1,3-oxazole-2-carboxylate?
The IUPAC name of methyl 4,5-dimethyl-1,3-oxazole-2-carboxylate (CID 54160887) is methyl 4,5-dimethyl-1,3-oxazole-2-carboxylate.
What is the SMILES notation for methyl 4,5-dimethyl-1,3-oxazole-2-carboxylate?
The canonical SMILES for methyl 4,5-dimethyl-1,3-oxazole-2-carboxylate is COC(=O)c1nc(C)c(C)o1.
What is the InChIKey of methyl 4,5-dimethyl-1,3-oxazole-2-carboxylate?
The InChIKey is OOHXVXBRFGMDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4-5(2)11-6(8-4)7(9)10-3/h1-3H3.
What are the key properties of methyl 4,5-dimethyl-1,3-oxazole-2-carboxylate?
methyl 4,5-dimethyl-1,3-oxazole-2-carboxylate has a molecular weight of 155.15 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethyl-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 54160887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).