[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate

C12H18N4O4 — CID 66660849

IUPAC[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate
SMILESCNC(=O)c1cc(COC(=O)N(C)C2CCNC2)on1
InChIInChI=1S/C12H18N4O4/c1-13-11(17)10-5-9(20-15-10)7-19-12(18)16(2)8-3-4-14-6-8/h5,8,14H,3-4,6-7H2,1-2H3,(H,13,17)
InChIKeyGGWFFLAOIUKIJT-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.04
Rot. Bonds4

About [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate

[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate (PubChem CID 66660849) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate.

Molecular Properties

Compound Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate
PubChem CID66660849
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate
SMILESCNC(=O)c1cc(COC(=O)N(C)C2CCNC2)on1
InChIInChI=1S/C12H18N4O4/c1-13-11(17)10-5-9(20-15-10)7-19-12(18)16(2)8-3-4-14-6-8/h5,8,14H,3-4,6-7H2,1-2H3,(H,13,17)
InChIKeyGGWFFLAOIUKIJT-UHFFFAOYSA-N
XLogP-0.04
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate?
The IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate (CID 66660849) is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate.
What is the SMILES notation for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate?
The canonical SMILES for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate is CNC(=O)c1cc(COC(=O)N(C)C2CCNC2)on1.
What is the InChIKey of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate?
The InChIKey is GGWFFLAOIUKIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-13-11(17)10-5-9(20-15-10)7-19-12(18)16(2)8-3-4-14-6-8/h5,8,14H,3-4,6-7H2,1-2H3,(H,13,17).
What are the key properties of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate?
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate has a molecular weight of 282.30 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-methyl-N-pyrrolidin-3-ylcarbamate is sourced from PubChem (CID 66660849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).