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

C12H17N3O5 — CID 3955885

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1c(C)noc1C
InChIInChI=1S/C12H17N3O5/c1-5-13-12(18)14-10(16)8(4)19-11(17)9-6(2)15-20-7(9)3/h8H,5H2,1-4H3,(H2,13,14,16,18)
InChIKeyLBWXVNAKLSFZFQ-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.68
Rot. Bonds4

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

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 3955885) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID3955885
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1c(C)noc1C
InChIInChI=1S/C12H17N3O5/c1-5-13-12(18)14-10(16)8(4)19-11(17)9-6(2)15-20-7(9)3/h8H,5H2,1-4H3,(H2,13,14,16,18)
InChIKeyLBWXVNAKLSFZFQ-UHFFFAOYSA-N
XLogP0.68
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 46623172
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 8954963
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7550447
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 5129716
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549693
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549699
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate
CID 41037172
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate
CID 17400075
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7563079
[(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
[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549911

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 3955885) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is CCNC(=O)NC(=O)C(C)OC(=O)c1c(C)noc1C.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is LBWXVNAKLSFZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-5-13-12(18)14-10(16)8(4)19-11(17)9-6(2)15-20-7(9)3/h8H,5H2,1-4H3,(H2,13,14,16,18).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 283.28 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 3955885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).