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

C9H11NO3 — CID 118511048

IUPACethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate
SMILESC=Cc1onc(C(=O)OCC)c1C
InChIInChI=1S/C9H11NO3/c1-4-7-6(3)8(10-13-7)9(11)12-5-2/h4H,1,5H2,2-3H3
InChIKeyNPSLBGYFMYTANY-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.80
Rot. Bonds3

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

ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate (PubChem CID 118511048) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate
PubChem CID118511048
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate
SMILESC=Cc1onc(C(=O)OCC)c1C
InChIInChI=1S/C9H11NO3/c1-4-7-6(3)8(10-13-7)9(11)12-5-2/h4H,1,5H2,2-3H3
InChIKeyNPSLBGYFMYTANY-UHFFFAOYSA-N
XLogP1.80
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester
CID 27536
Ethyl 5-methylisoxazole-3-carboxylate
CID 76677
Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate
CID 2799417
Ethyl 4-acetyl-1,2-oxazole-3-carboxylate
CID 21717656
Methyl 4-(chloromethyl)-5-methyl-1,2-oxazole-3-carboxylate
CID 50896490
ethyl 5-[(E)-styryl]isoxazole-3-carboxylate
CID 45483995
ethyl 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole-3-carboxylate
CID 71460477
methyl 4-[(E)-3-(dimethylamino)prop-2-enoyl]-5-methyl-1,2-oxazole-3-carboxylate
CID 5704063
Methyl 4-ethoxycarbonyl-5-methylisoxazole-3-carboxylate
CID 15682534
Butyl 5-methylisoxazole-3-carboxylate
CID 3020472
3,4-Isoxazoledicarboxylic acid, 5-methyl-, 3-ethyl 4-methyl ester
CID 5325762
Ethyl 4-(bromomethyl)-5-[4-(trifluoromethyl)hepta-2,4-dienyl]-1,2-oxazole-3-carboxylate
CID 90846975

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate (CID 118511048) is ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate is C=Cc1onc(C(=O)OCC)c1C.
What is the InChIKey of ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate?
The InChIKey is NPSLBGYFMYTANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-4-7-6(3)8(10-13-7)9(11)12-5-2/h4H,1,5H2,2-3H3.
What are the key properties of ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate?
ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 118511048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).