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

C8H11NO3 — CID 736348

IUPACethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1C
InChIInChI=1S/C8H11NO3/c1-4-11-8(10)7-5(2)9-12-6(7)3/h4H2,1-3H3
InChIKeyOQRHVDXUJAQVNT-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.47
Rot. Bonds2

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

ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 736348) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID736348
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nameethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1C
InChIInChI=1S/C8H11NO3/c1-4-11-8(10)7-5(2)9-12-6(7)3/h4H2,1-3H3
InChIKeyOQRHVDXUJAQVNT-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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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 736348) is ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(C)noc1C.
What is the InChIKey of ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is OQRHVDXUJAQVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-4-11-8(10)7-5(2)9-12-6(7)3/h4H2,1-3H3.
What are the key properties of ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
ethyl 3,5-dimethyl-1,2-oxazole-4-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 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 736348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).