[3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] N-methylcarbamate

C13H20N4O4 — CID 13489666

IUPAC[3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] N-methylcarbamate
SMILESCNC(=O)OC1CN(C)C(=O)N1c1cc(C(C)(C)C)on1
InChIInChI=1S/C13H20N4O4/c1-13(2,3)8-6-9(15-21-8)17-10(20-11(18)14-4)7-16(5)12(17)19/h6,10H,7H2,1-5H3,(H,14,18)
InChIKeyNXZULAZVZBNBOU-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.53
Rot. Bonds2

About [3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] N-methylcarbamate

[3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] N-methylcarbamate (PubChem CID 13489666) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is [3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] N-methylcarbamate.

Molecular Properties

Compound Name[3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] N-methylcarbamate
PubChem CID13489666
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name[3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] N-methylcarbamate
SMILESCNC(=O)OC1CN(C)C(=O)N1c1cc(C(C)(C)C)on1
InChIInChI=1S/C13H20N4O4/c1-13(2,3)8-6-9(15-21-8)17-10(20-11(18)14-4)7-16(5)12(17)19/h6,10H,7H2,1-5H3,(H,14,18)
InChIKeyNXZULAZVZBNBOU-UHFFFAOYSA-N
XLogP1.53
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] N-methylcarbamate?
The IUPAC name of [3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] N-methylcarbamate (CID 13489666) is [3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] N-methylcarbamate.
What is the SMILES notation for [3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] N-methylcarbamate?
The canonical SMILES for [3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] N-methylcarbamate is CNC(=O)OC1CN(C)C(=O)N1c1cc(C(C)(C)C)on1.
What is the InChIKey of [3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] N-methylcarbamate?
The InChIKey is NXZULAZVZBNBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-13(2,3)8-6-9(15-21-8)17-10(20-11(18)14-4)7-16(5)12(17)19/h6,10H,7H2,1-5H3,(H,14,18).
What are the key properties of [3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] N-methylcarbamate?
[3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] N-methylcarbamate has a molecular weight of 296.33 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] N-methylcarbamate is sourced from PubChem (CID 13489666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).