[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

C13H19N3O5 — CID 7531459

IUPAC[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)O[C@H](C(=O)NC(N)=O)C(C)C
InChIInChI=1S/C13H19N3O5/c1-5-8-9(7(4)21-16-8)12(18)20-10(6(2)3)11(17)15-13(14)19/h6,10H,5H2,1-4H3,(H3,14,15,17,19)/t10-/m0/s1
InChIKeyOCMZHRMXNVLBTN-JTQLQIEISA-N
MW297.31 g/mol
LogP0.92
Rot. Bonds5

About [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 7531459) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID7531459
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)O[C@H](C(=O)NC(N)=O)C(C)C
InChIInChI=1S/C13H19N3O5/c1-5-8-9(7(4)21-16-8)12(18)20-10(6(2)3)11(17)15-13(14)19/h6,10H,5H2,1-4H3,(H3,14,15,17,19)/t10-/m0/s1
InChIKeyOCMZHRMXNVLBTN-JTQLQIEISA-N
XLogP0.92
TPSA124.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate with MolForge

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Related Compounds

[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3946039
[2-(1-Adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2998627
[1-(Methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3927260
[2-(1-Adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 4790435
[2-Oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 27951174
[2-[(6-Amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2568930
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4691704
[2-(3-Methylbutylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 4790439
[2-(Ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7531350
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660681
(5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 16306256
[2-(2-Methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 40770484

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 7531459) is [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCc1noc(C)c1C(=O)O[C@H](C(=O)NC(N)=O)C(C)C.
What is the InChIKey of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is OCMZHRMXNVLBTN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O5/c1-5-8-9(7(4)21-16-8)12(18)20-10(6(2)3)11(17)15-13(14)19/h6,10H,5H2,1-4H3,(H3,14,15,17,19)/t10-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7531459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).