[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C13H19N3O5 — CID 46623172

IUPAC[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OC(C)C(=O)NC(=O)NC(C)C
InChIInChI=1S/C13H19N3O5/c1-6(2)14-13(19)15-11(17)9(5)20-12(18)10-7(3)16-21-8(10)4/h6,9H,1-5H3,(H2,14,15,17,19)
InChIKeyXEFZYXJLQQDZOT-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.07
Rot. Bonds4

About [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 46623172) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID46623172
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OC(C)C(=O)NC(=O)NC(C)C
InChIInChI=1S/C13H19N3O5/c1-6(2)14-13(19)15-11(17)9(5)20-12(18)10-7(3)16-21-8(10)4/h6,9H,1-5H3,(H2,14,15,17,19)
InChIKeyXEFZYXJLQQDZOT-UHFFFAOYSA-N
XLogP1.07
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3955885
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 8954963
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549693
[(2R)-1-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 11907804
[(2R)-1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 11907802
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485253
[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549911
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7563079
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681478
[(2R)-1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 8954703
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 27410212
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 42903866

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 46623172) is [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OC(C)C(=O)NC(=O)NC(C)C.
What is the InChIKey of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is XEFZYXJLQQDZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-6(2)14-13(19)15-11(17)9(5)20-12(18)10-7(3)16-21-8(10)4/h6,9H,1-5H3,(H2,14,15,17,19).
What are the key properties of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 46623172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).