[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-piperidin-4-ylcarbamate

C12H18N4O4 — CID 66660766

IUPAC[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-piperidin-4-ylcarbamate
SMILESCNC(=O)c1cc(COC(=O)NC2CCNCC2)on1
InChIInChI=1S/C12H18N4O4/c1-13-11(17)10-6-9(20-16-10)7-19-12(18)15-8-2-4-14-5-3-8/h6,8,14H,2-5,7H2,1H3,(H,13,17)(H,15,18)
InChIKeyITQQUNNHIFHQCE-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.01
Rot. Bonds4

About [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-piperidin-4-ylcarbamate

[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-piperidin-4-ylcarbamate (PubChem CID 66660766) 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-piperidin-4-ylcarbamate.

Molecular Properties

Compound Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-piperidin-4-ylcarbamate
PubChem CID66660766
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-piperidin-4-ylcarbamate
SMILESCNC(=O)c1cc(COC(=O)NC2CCNCC2)on1
InChIInChI=1S/C12H18N4O4/c1-13-11(17)10-6-9(20-16-10)7-19-12(18)15-8-2-4-14-5-3-8/h6,8,14H,2-5,7H2,1H3,(H,13,17)(H,15,18)
InChIKeyITQQUNNHIFHQCE-UHFFFAOYSA-N
XLogP0.01
TPSA105.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.01
H-Bond Donors ≤ 53
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-piperidin-4-ylcarbamate?
The IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-piperidin-4-ylcarbamate (CID 66660766) is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-piperidin-4-ylcarbamate.
What is the SMILES notation for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-piperidin-4-ylcarbamate?
The canonical SMILES for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-piperidin-4-ylcarbamate is CNC(=O)c1cc(COC(=O)NC2CCNCC2)on1.
What is the InChIKey of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-piperidin-4-ylcarbamate?
The InChIKey is ITQQUNNHIFHQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-13-11(17)10-6-9(20-16-10)7-19-12(18)15-8-2-4-14-5-3-8/h6,8,14H,2-5,7H2,1H3,(H,13,17)(H,15,18).
What are the key properties of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-piperidin-4-ylcarbamate?
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-piperidin-4-ylcarbamate has a molecular weight of 282.30 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 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-piperidin-4-ylcarbamate is sourced from PubChem (CID 66660766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).