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

C8H11NO3 — CID 11629661

IUPACethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C)c1C
InChIInChI=1S/C8H11NO3/c1-4-11-8(10)7-5(2)6(3)12-9-7/h4H2,1-3H3
InChIKeyAEROVXUVZLDVPM-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.47
Rot. Bonds2

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

ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate (PubChem CID 11629661) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate
PubChem CID11629661
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nameethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C)c1C
InChIInChI=1S/C8H11NO3/c1-4-11-8(10)7-5(2)6(3)12-9-7/h4H2,1-3H3
InChIKeyAEROVXUVZLDVPM-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-amino-4-methyl-1,2-oxazole-3-carboxylate
CID 68805787
ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate
CID 102317194
ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate
CID 118511048
ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate
CID 105441043
4,5-dimethyl-1,2-oxazole-3-carboxylic acid
CID 7018552
ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate
CID 66643541
ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate
CID 23006238
4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 7018551
ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate
CID 11822133
ethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate
CID 105465922
ethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate
CID 118956093
ethyl 4-acetyl-5-bromo-1,2-oxazole-3-carboxylate
CID 70451486

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate (CID 11629661) is ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate?
The InChIKey is AEROVXUVZLDVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-4-11-8(10)7-5(2)6(3)12-9-7/h4H2,1-3H3.
What are the key properties of ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate?
ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 11629661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).