tert-butyl N-[[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate

C10H16N4O4 — CID 11777159

IUPACtert-butyl N-[[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
SMILESCNC(=O)c1nnc(CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C10H16N4O4/c1-10(2,3)18-9(16)12-5-6-13-14-8(17-6)7(15)11-4/h5H2,1-4H3,(H,11,15)(H,12,16)
InChIKeyPMWQINVTMXVGNI-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.45
Rot. Bonds3

About tert-butyl N-[[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate

tert-butyl N-[[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate (PubChem CID 11777159) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is tert-butyl N-[[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
PubChem CID11777159
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Nametert-butyl N-[[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
SMILESCNC(=O)c1nnc(CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C10H16N4O4/c1-10(2,3)18-9(16)12-5-6-13-14-8(17-6)7(15)11-4/h5H2,1-4H3,(H,11,15)(H,12,16)
InChIKeyPMWQINVTMXVGNI-UHFFFAOYSA-N
XLogP0.45
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate (CID 11777159) is tert-butyl N-[[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate is CNC(=O)c1nnc(CNC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate?
The InChIKey is PMWQINVTMXVGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-10(2,3)18-9(16)12-5-6-13-14-8(17-6)7(15)11-4/h5H2,1-4H3,(H,11,15)(H,12,16).
What are the key properties of tert-butyl N-[[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate?
tert-butyl N-[[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate has a molecular weight of 256.26 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(methylcarbamoyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate is sourced from PubChem (CID 11777159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).