tert-butyl 5-amino-1,2-oxazole-3-carboxylate

C8H12N2O3 — CID 102336043

IUPACtert-butyl 5-amino-1,2-oxazole-3-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(N)on1
InChIInChI=1S/C8H12N2O3/c1-8(2,3)12-7(11)5-4-6(9)13-10-5/h4H,9H2,1-3H3
InChIKeyAYCAVDPJEYNCAU-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.21
Rot. Bonds1

About tert-butyl 5-amino-1,2-oxazole-3-carboxylate

tert-butyl 5-amino-1,2-oxazole-3-carboxylate (PubChem CID 102336043) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is tert-butyl 5-amino-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-1,2-oxazole-3-carboxylate
PubChem CID102336043
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Nametert-butyl 5-amino-1,2-oxazole-3-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(N)on1
InChIInChI=1S/C8H12N2O3/c1-8(2,3)12-7(11)5-4-6(9)13-10-5/h4H,9H2,1-3H3
InChIKeyAYCAVDPJEYNCAU-UHFFFAOYSA-N
XLogP1.21
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-1,2-oxazol-3-yl)-methylsulfonylmethanone
CID 117214997
tert-butyl 5-amino-1,2-oxazole-4-carboxylate
CID 131213702
ditert-butyl 5-aminobenzene-1,3-dicarboxylate
CID 24728886
tert-butyl 4-amino-1H-pyrrole-2-carboxylate
CID 61310600
ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylate
CID 10588096
tert-butyl 1,5-dimethylpyrazole-3-carboxylate
CID 130485579
tert-butyl 2,5-diaminopyridine-3-carboxylate
CID 133055490
azane;ditert-butyl 6-methylpyrimidine-2,4-dicarboxylate
CID 174755008
tert-butyl 5,7-dichloro-2,1-benzoxazole-3-carboxylate
CID 10902274
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)-1,2-oxazole-5-carboxylate
CID 177033862
tert-butyl 6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine-3-carboxylate
CID 90478097

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-1,2-oxazole-3-carboxylate?
The IUPAC name of tert-butyl 5-amino-1,2-oxazole-3-carboxylate (CID 102336043) is tert-butyl 5-amino-1,2-oxazole-3-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-1,2-oxazole-3-carboxylate?
The canonical SMILES for tert-butyl 5-amino-1,2-oxazole-3-carboxylate is CC(C)(C)OC(=O)c1cc(N)on1.
What is the InChIKey of tert-butyl 5-amino-1,2-oxazole-3-carboxylate?
The InChIKey is AYCAVDPJEYNCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-8(2,3)12-7(11)5-4-6(9)13-10-5/h4H,9H2,1-3H3.
What are the key properties of tert-butyl 5-amino-1,2-oxazole-3-carboxylate?
tert-butyl 5-amino-1,2-oxazole-3-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 102336043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).