[1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

C12H19N3O4 — CID 46639441

IUPAC[1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C12H19N3O4/c1-6-8(9(13)19-15-6)11(17)18-7(2)10(16)14-12(3,4)5/h7H,13H2,1-5H3,(H,14,16)
InChIKeyPPPLQHFFJRPVTC-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.03
Rot. Bonds3

About [1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

[1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 46639441) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is [1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID46639441
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name[1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C12H19N3O4/c1-6-8(9(13)19-15-6)11(17)18-7(2)10(16)14-12(3,4)5/h7H,13H2,1-5H3,(H,14,16)
InChIKeyPPPLQHFFJRPVTC-UHFFFAOYSA-N
XLogP1.03
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 92513301
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 18098858
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 27062703
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46574508
[1-(tert-butylamino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 42925689
[(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 9452044
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-5-methylthiophene-2-carboxylate
CID 61316392
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 46623172
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549693
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-amino-6-bromopyrazine-2-carboxylate
CID 95788283
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3955885
[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 16570747

Frequently Asked Questions

What is the IUPAC name of [1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 46639441) is [1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is Cc1noc(N)c1C(=O)OC(C)C(=O)NC(C)(C)C.
What is the InChIKey of [1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is PPPLQHFFJRPVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-6-8(9(13)19-15-6)11(17)18-7(2)10(16)14-12(3,4)5/h7H,13H2,1-5H3,(H,14,16).
What are the key properties of [1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
[1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 46639441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).