[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C11H15N3O5 — CID 3927260

IUPAC[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCNC(=O)NC(=O)C(C)OC(=O)c1c(C)noc1C
InChIInChI=1S/C11H15N3O5/c1-5-8(6(2)19-14-5)10(16)18-7(3)9(15)13-11(17)12-4/h7H,1-4H3,(H2,12,13,15,17)
InChIKeyZWDHPIIJDUVXNP-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.29
Rot. Bonds3

About [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 3927260) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID3927260
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCNC(=O)NC(=O)C(C)OC(=O)c1c(C)noc1C
InChIInChI=1S/C11H15N3O5/c1-5-8(6(2)19-14-5)10(16)18-7(3)9(15)13-11(17)12-4/h7H,1-4H3,(H2,12,13,15,17)
InChIKeyZWDHPIIJDUVXNP-UHFFFAOYSA-N
XLogP0.29
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3946039
3,5-Dimethyl-4-isoxazolecarboxylic acid [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5-pyrimidinyl)-2-oxoethyl] ester
CID 2115012
[2-[4-Amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2535671
[2-(Cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2520589
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2997793
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2560801
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4557140
[1-(3,5-Dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 102556288
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681430
[2-Oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 27951174
[2-Oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639801
[2-[2-(2,4-Dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2482314

Frequently Asked Questions

What is the IUPAC name of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 3927260) is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is CNC(=O)NC(=O)C(C)OC(=O)c1c(C)noc1C.
What is the InChIKey of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is ZWDHPIIJDUVXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-5-8(6(2)19-14-5)10(16)18-7(3)9(15)13-11(17)12-4/h7H,1-4H3,(H2,12,13,15,17).
What are the key properties of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 3927260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).