ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate

C10H15NO3 — CID 21031491

IUPACethyl 5-tert-butyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C(C)(C)C
InChIInChI=1S/C10H15NO3/c1-5-13-9(12)7-8(10(2,3)4)14-6-11-7/h6H,5H2,1-4H3
InChIKeyYVBVIJQMJDNVFD-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.15
Rot. Bonds2

About ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate

ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate (PubChem CID 21031491) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-tert-butyl-1,3-oxazole-4-carboxylate
PubChem CID21031491
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 5-tert-butyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C(C)(C)C
InChIInChI=1S/C10H15NO3/c1-5-13-9(12)7-8(10(2,3)4)14-6-11-7/h6H,5H2,1-4H3
InChIKeyYVBVIJQMJDNVFD-UHFFFAOYSA-N
XLogP2.15
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate (CID 21031491) is ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1C(C)(C)C.
What is the InChIKey of ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate?
The InChIKey is YVBVIJQMJDNVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-5-13-9(12)7-8(10(2,3)4)14-6-11-7/h6H,5H2,1-4H3.
What are the key properties of ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate?
ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-tert-butyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 21031491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).