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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Related Compounds

methyl 4-(chloromethyl)-5-methyl-1,2-oxazole-3-carboxylate
CID 50896490
ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate
CID 118511048
ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 11629661
4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 7018551
methyl 7-(1-benzothiophen-2-yl)-1-methylcyclopenta[d]oxazine-4-carboxylate
CID 11846259
methyl 3-(2-chloro-4-fluoroocta-1,3-dien-3-yl)-5-methyl-1,2-oxazole-4-carboxylate
CID 123960754
methyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate
CID 66777112
(E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate
CID 7063565
ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate
CID 102317194
methyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
CID 117274239
methyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 110861575
4-methoxycarbonyl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 5325770

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).