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

C8H9NO3 — CID 152577748

IUPACmethyl 4-ethenyl-5-methyl-1,2-oxazole-3-carboxylate
SMILESC=Cc1c(C(=O)OC)noc1C
InChIInChI=1S/C8H9NO3/c1-4-6-5(2)12-9-7(6)8(10)11-3/h4H,1H2,2-3H3
InChIKeyYSVBTANYFUGPMM-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.41
Rot. Bonds2

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

methyl 4-ethenyl-5-methyl-1,2-oxazole-3-carboxylate (PubChem CID 152577748) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl 4-ethenyl-5-methyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethenyl-5-methyl-1,2-oxazole-3-carboxylate
PubChem CID152577748
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl 4-ethenyl-5-methyl-1,2-oxazole-3-carboxylate
SMILESC=Cc1c(C(=O)OC)noc1C
InChIInChI=1S/C8H9NO3/c1-4-6-5(2)12-9-7(6)8(10)11-3/h4H,1H2,2-3H3
InChIKeyYSVBTANYFUGPMM-UHFFFAOYSA-N
XLogP1.41
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethenyl-5-methyl-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 4-ethenyl-5-methyl-1,2-oxazole-3-carboxylate (CID 152577748) is methyl 4-ethenyl-5-methyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 4-ethenyl-5-methyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 4-ethenyl-5-methyl-1,2-oxazole-3-carboxylate is C=Cc1c(C(=O)OC)noc1C.
What is the InChIKey of methyl 4-ethenyl-5-methyl-1,2-oxazole-3-carboxylate?
The InChIKey is YSVBTANYFUGPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-4-6-5(2)12-9-7(6)8(10)11-3/h4H,1H2,2-3H3.
What are the key properties of methyl 4-ethenyl-5-methyl-1,2-oxazole-3-carboxylate?
methyl 4-ethenyl-5-methyl-1,2-oxazole-3-carboxylate has a molecular weight of 167.16 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethenyl-5-methyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 152577748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).