[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

C11H14N4O5 — CID 46574508

IUPAC[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OC(C)C(=O)N1CCNC1=O
InChIInChI=1S/C11H14N4O5/c1-5-7(8(12)20-14-5)10(17)19-6(2)9(16)15-4-3-13-11(15)18/h6H,3-4,12H2,1-2H3,(H,13,18)
InChIKeyBZVPRMWBPPLSKR-UHFFFAOYSA-N
MW282.26 g/mol
LogP-0.34
Rot. Bonds3

About [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 46574508) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID46574508
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OC(C)C(=O)N1CCNC1=O
InChIInChI=1S/C11H14N4O5/c1-5-7(8(12)20-14-5)10(17)19-6(2)9(16)15-4-3-13-11(15)18/h6H,3-4,12H2,1-2H3,(H,13,18)
InChIKeyBZVPRMWBPPLSKR-UHFFFAOYSA-N
XLogP-0.34
TPSA127.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 18092066
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 18091731
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2,4,6-trimethylbenzoate
CID 18169660
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-methylpyrazine-2-carboxylate
CID 18090871
2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 41013005
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 18098858
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate
CID 24531317
[1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639441
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 9382216
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate
CID 18090807
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-difluorobenzoate
CID 8728241
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 92513301

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 46574508) is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is Cc1noc(N)c1C(=O)OC(C)C(=O)N1CCNC1=O.
What is the InChIKey of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is BZVPRMWBPPLSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c1-5-7(8(12)20-14-5)10(17)19-6(2)9(16)15-4-3-13-11(15)18/h6H,3-4,12H2,1-2H3,(H,13,18).
What are the key properties of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 282.26 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 46574508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).