tert-butyl 1,2-oxazole-4-carboxylate

C8H11NO3 — CID 132597750

IUPACtert-butyl 1,2-oxazole-4-carboxylate
SMILESCC(C)(C)OC(=O)c1cnoc1
InChIInChI=1S/C8H11NO3/c1-8(2,3)12-7(10)6-4-9-11-5-6/h4-5H,1-3H3
InChIKeyPSFJEIRYKPDOBL-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.63
Rot. Bonds1

About tert-butyl 1,2-oxazole-4-carboxylate

tert-butyl 1,2-oxazole-4-carboxylate (PubChem CID 132597750) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is tert-butyl 1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,2-oxazole-4-carboxylate
PubChem CID132597750
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nametert-butyl 1,2-oxazole-4-carboxylate
SMILESCC(C)(C)OC(=O)c1cnoc1
InChIInChI=1S/C8H11NO3/c1-8(2,3)12-7(10)6-4-9-11-5-6/h4-5H,1-3H3
InChIKeyPSFJEIRYKPDOBL-UHFFFAOYSA-N
XLogP1.63
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,2-oxazole-4-carboxylate?
The IUPAC name of tert-butyl 1,2-oxazole-4-carboxylate (CID 132597750) is tert-butyl 1,2-oxazole-4-carboxylate.
What is the SMILES notation for tert-butyl 1,2-oxazole-4-carboxylate?
The canonical SMILES for tert-butyl 1,2-oxazole-4-carboxylate is CC(C)(C)OC(=O)c1cnoc1.
What is the InChIKey of tert-butyl 1,2-oxazole-4-carboxylate?
The InChIKey is PSFJEIRYKPDOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-8(2,3)12-7(10)6-4-9-11-5-6/h4-5H,1-3H3.
What are the key properties of tert-butyl 1,2-oxazole-4-carboxylate?
tert-butyl 1,2-oxazole-4-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,2-oxazole-4-carboxylate is sourced from PubChem (CID 132597750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).