methyl N-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylcarbamate

C10H16N2O3 — CID 22768158

IUPACmethyl N-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1cc(C(C)(C)C)on1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)7-6-8(11-15-7)12(4)9(13)14-5/h6H,1-5H3
InChIKeyMFKFGAZTPNJFSH-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.17
Rot. Bonds1

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

methyl N-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylcarbamate (PubChem CID 22768158) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl N-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylcarbamate
PubChem CID22768158
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl N-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1cc(C(C)(C)C)on1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)7-6-8(11-15-7)12(4)9(13)14-5/h6H,1-5H3
InChIKeyMFKFGAZTPNJFSH-UHFFFAOYSA-N
XLogP2.17
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylcarbamate?
The IUPAC name of methyl N-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylcarbamate (CID 22768158) is methyl N-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylcarbamate?
The canonical SMILES for methyl N-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylcarbamate is COC(=O)N(C)c1cc(C(C)(C)C)on1.
What is the InChIKey of methyl N-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylcarbamate?
The InChIKey is MFKFGAZTPNJFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-10(2,3)7-6-8(11-15-7)12(4)9(13)14-5/h6H,1-5H3.
What are the key properties of methyl N-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylcarbamate?
methyl N-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylcarbamate has a molecular weight of 212.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylcarbamate is sourced from PubChem (CID 22768158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).