methyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate

C8H14N4O3 — CID 134249431

IUPACmethyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate
SMILESCCC(NC(=O)OC)c1nnc(NC)o1
InChIInChI=1S/C8H14N4O3/c1-4-5(10-8(13)14-3)6-11-12-7(9-2)15-6/h5H,4H2,1-3H3,(H,9,12)(H,10,13)
InChIKeyRXYUEGPFUODMNG-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.92
Rot. Bonds4

About methyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate

methyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate (PubChem CID 134249431) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate
PubChem CID134249431
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Namemethyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate
SMILESCCC(NC(=O)OC)c1nnc(NC)o1
InChIInChI=1S/C8H14N4O3/c1-4-5(10-8(13)14-3)6-11-12-7(9-2)15-6/h5H,4H2,1-3H3,(H,9,12)(H,10,13)
InChIKeyRXYUEGPFUODMNG-UHFFFAOYSA-N
XLogP0.92
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate?
The IUPAC name of methyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate (CID 134249431) is methyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate?
The canonical SMILES for methyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate is CCC(NC(=O)OC)c1nnc(NC)o1.
What is the InChIKey of methyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate?
The InChIKey is RXYUEGPFUODMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-4-5(10-8(13)14-3)6-11-12-7(9-2)15-6/h5H,4H2,1-3H3,(H,9,12)(H,10,13).
What are the key properties of methyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate?
methyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate has a molecular weight of 214.22 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate is sourced from PubChem (CID 134249431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).