methyl N-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate

C8H12N2O4 — CID 171654399

IUPACmethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate
SMILESCOC(=O)NCCOc1cc(C)on1
InChIInChI=1S/C8H12N2O4/c1-6-5-7(10-14-6)13-4-3-9-8(11)12-2/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeyZDXZNLUDKOUDPJ-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.72
Rot. Bonds4

About methyl N-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate

methyl N-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate (PubChem CID 171654399) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is methyl N-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate
PubChem CID171654399
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Namemethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate
SMILESCOC(=O)NCCOc1cc(C)on1
InChIInChI=1S/C8H12N2O4/c1-6-5-7(10-14-6)13-4-3-9-8(11)12-2/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeyZDXZNLUDKOUDPJ-UHFFFAOYSA-N
XLogP0.72
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate?
The IUPAC name of methyl N-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate (CID 171654399) is methyl N-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate is COC(=O)NCCOc1cc(C)on1.
What is the InChIKey of methyl N-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate?
The InChIKey is ZDXZNLUDKOUDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-6-5-7(10-14-6)13-4-3-9-8(11)12-2/h5H,3-4H2,1-2H3,(H,9,11).
What are the key properties of methyl N-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate?
methyl N-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate has a molecular weight of 200.19 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate is sourced from PubChem (CID 171654399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).