tert-butyl 5-amino-1,2-oxazole-4-carboxylate

C8H12N2O3 — CID 131213702

IUPACtert-butyl 5-amino-1,2-oxazole-4-carboxylate
SMILESCC(C)(C)OC(=O)c1cnoc1N
InChIInChI=1S/C8H12N2O3/c1-8(2,3)12-7(11)5-4-10-13-6(5)9/h4H,9H2,1-3H3
InChIKeyDEEDBJIOVWTZDN-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.21
Rot. Bonds1

About tert-butyl 5-amino-1,2-oxazole-4-carboxylate

tert-butyl 5-amino-1,2-oxazole-4-carboxylate (PubChem CID 131213702) 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-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-1,2-oxazole-4-carboxylate
PubChem CID131213702
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Nametert-butyl 5-amino-1,2-oxazole-4-carboxylate
SMILESCC(C)(C)OC(=O)c1cnoc1N
InChIInChI=1S/C8H12N2O3/c1-8(2,3)12-7(11)5-4-10-13-6(5)9/h4H,9H2,1-3H3
InChIKeyDEEDBJIOVWTZDN-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

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CID 175130774
tert-butyl 2-amino-5-fluoropyridine-3-carboxylate
CID 133055354
tert-butyl 5-amino-1,2-oxazole-3-carboxylate
CID 102336043
tert-butyl 1,5-dimethylpyrazole-4-carboxylate
CID 63897009
tert-butyl 6-amino-2-fluoropyridine-3-carboxylate
CID 21467261
tert-butyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 172818314
ditert-butyl 2,5-dimethylbenzene-1,4-dicarboxylate
CID 4229880
ditert-butyl 6-amino-5-phenylpyridine-3,4-dicarboxylate
CID 122604116
tert-butyl 5-amino-2,4-dimethylbenzoate
CID 102706046
2-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
CID 52987939
tert-butyl 2-amino-5-hydroxybenzoate
CID 61405747

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-1,2-oxazole-4-carboxylate?
The IUPAC name of tert-butyl 5-amino-1,2-oxazole-4-carboxylate (CID 131213702) is tert-butyl 5-amino-1,2-oxazole-4-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-1,2-oxazole-4-carboxylate?
The canonical SMILES for tert-butyl 5-amino-1,2-oxazole-4-carboxylate is CC(C)(C)OC(=O)c1cnoc1N.
What is the InChIKey of tert-butyl 5-amino-1,2-oxazole-4-carboxylate?
The InChIKey is DEEDBJIOVWTZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-8(2,3)12-7(11)5-4-10-13-6(5)9/h4H,9H2,1-3H3.
What are the key properties of tert-butyl 5-amino-1,2-oxazole-4-carboxylate?
tert-butyl 5-amino-1,2-oxazole-4-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-4-carboxylate is sourced from PubChem (CID 131213702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).