[5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate

C10H16N2O3 — CID 118728312

IUPAC[5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
SMILESCC(C)Cc1cc(OC(=O)N(C)C)no1
InChIInChI=1S/C10H16N2O3/c1-7(2)5-8-6-9(11-15-8)14-10(13)12(3)4/h6-7H,5H2,1-4H3
InChIKeyGYTGKXRVKMDXLO-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.93
Rot. Bonds3

About [5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate

[5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate (PubChem CID 118728312) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is [5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
PubChem CID118728312
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name[5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
SMILESCC(C)Cc1cc(OC(=O)N(C)C)no1
InChIInChI=1S/C10H16N2O3/c1-7(2)5-8-6-9(11-15-8)14-10(13)12(3)4/h6-7H,5H2,1-4H3
InChIKeyGYTGKXRVKMDXLO-UHFFFAOYSA-N
XLogP1.93
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate?
The IUPAC name of [5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate (CID 118728312) is [5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate?
The canonical SMILES for [5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate is CC(C)Cc1cc(OC(=O)N(C)C)no1.
What is the InChIKey of [5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate?
The InChIKey is GYTGKXRVKMDXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(2)5-8-6-9(11-15-8)14-10(13)12(3)4/h6-7H,5H2,1-4H3.
What are the key properties of [5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate?
[5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate has a molecular weight of 212.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 118728312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).