[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C13H20N2O4 — CID 40770484

IUPAC[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCCC(C)(C)NC(=O)COC(=O)c1c(C)noc1C
InChIInChI=1S/C13H20N2O4/c1-6-13(4,5)14-10(16)7-18-12(17)11-8(2)15-19-9(11)3/h6-7H2,1-5H3,(H,14,16)
InChIKeyJTFQQCKSXLMXBV-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.75
Rot. Bonds5

About [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 40770484) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID40770484
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCCC(C)(C)NC(=O)COC(=O)c1c(C)noc1C
InChIInChI=1S/C13H20N2O4/c1-6-13(4,5)14-10(16)7-18-12(17)11-8(2)15-19-9(11)3/h6-7H2,1-5H3,(H,14,16)
InChIKeyJTFQQCKSXLMXBV-UHFFFAOYSA-N
XLogP1.75
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3946039
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7550538
[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
[1-(Methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3927260
[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
Ethyl 2-[(3,5-dimethylisoxazol-4-yl)carbonylamino]acetate
CID 2225292
[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

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 40770484) is [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is CCC(C)(C)NC(=O)COC(=O)c1c(C)noc1C.
What is the InChIKey of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is JTFQQCKSXLMXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-6-13(4,5)14-10(16)7-18-12(17)11-8(2)15-19-9(11)3/h6-7H2,1-5H3,(H,14,16).
What are the key properties of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 40770484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).