methyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate

C11H16N2O4 — CID 15692973

IUPACmethyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C)noc1C(=O)NC(C)(C)C
InChIInChI=1S/C11H16N2O4/c1-6-7(10(15)16-5)8(17-13-6)9(14)12-11(2,3)4/h1-5H3,(H,12,14)
InChIKeyLETNTNCZUDTGTP-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.30
Rot. Bonds2

About methyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate

methyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 15692973) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID15692973
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C)noc1C(=O)NC(C)(C)C
InChIInChI=1S/C11H16N2O4/c1-6-7(10(15)16-5)8(17-13-6)9(14)12-11(2,3)4/h1-5H3,(H,12,14)
InChIKeyLETNTNCZUDTGTP-UHFFFAOYSA-N
XLogP1.30
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxycarbonyl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 5325770
methyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 15066157
methyl 5-bromo-3-methyl-1,2-oxazole-4-carboxylate
CID 84685263
methyl 3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate
CID 10945034
methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 105434387
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
CID 10878792
N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110855367
[1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639441
N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51302068
4-ethoxycarbonyl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 15692965
2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 61263912
methyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate
CID 15315493

Frequently Asked Questions

What is the IUPAC name of methyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate (CID 15692973) is methyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate is COC(=O)c1c(C)noc1C(=O)NC(C)(C)C.
What is the InChIKey of methyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is LETNTNCZUDTGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6-7(10(15)16-5)8(17-13-6)9(14)12-11(2,3)4/h1-5H3,(H,12,14).
What are the key properties of methyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate?
methyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 15692973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).