methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate

C8H11NO3 — CID 23006335

IUPACmethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
SMILESCOC(=O)Cc1c(C)noc1C
InChIInChI=1S/C8H11NO3/c1-5-7(4-8(10)11-3)6(2)12-9-5/h4H2,1-3H3
InChIKeyKPDLDAYBUDLLMF-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.01
Rot. Bonds2

About methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate

methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (PubChem CID 23006335) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
PubChem CID23006335
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namemethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
SMILESCOC(=O)Cc1c(C)noc1C
InChIInChI=1S/C8H11NO3/c1-5-7(4-8(10)11-3)6(2)12-9-5/h4H2,1-3H3
InChIKeyKPDLDAYBUDLLMF-UHFFFAOYSA-N
XLogP1.01
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The IUPAC name of methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (CID 23006335) is methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The canonical SMILES for methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is COC(=O)Cc1c(C)noc1C.
What is the InChIKey of methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The InChIKey is KPDLDAYBUDLLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5-7(4-8(10)11-3)6(2)12-9-5/h4H2,1-3H3.
What are the key properties of methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate has a molecular weight of 169.18 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is sourced from PubChem (CID 23006335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).