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

C10H20N4O3 — CID 142287207

IUPACmethyl N-[2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethyl]carbamate;propane
SMILESCCC.CNc1nnc(CCNC(=O)OC)o1
InChIInChI=1S/C7H12N4O3.C3H8/c1-8-6-11-10-5(14-6)3-4-9-7(12)13-2;1-3-2/h3-4H2,1-2H3,(H,8,11)(H,9,12);3H2,1-2H3
InChIKeyMJTOEIZZDTZZMS-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.43
Rot. Bonds4

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

methyl N-[2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethyl]carbamate;propane (PubChem CID 142287207) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl N-[2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethyl]carbamate;propane.

Molecular Properties

Compound Namemethyl N-[2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethyl]carbamate;propane
PubChem CID142287207
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Namemethyl N-[2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethyl]carbamate;propane
SMILESCCC.CNc1nnc(CCNC(=O)OC)o1
InChIInChI=1S/C7H12N4O3.C3H8/c1-8-6-11-10-5(14-6)3-4-9-7(12)13-2;1-3-2/h3-4H2,1-2H3,(H,8,11)(H,9,12);3H2,1-2H3
InChIKeyMJTOEIZZDTZZMS-UHFFFAOYSA-N
XLogP1.43
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethyl]carbamate;propane?
The IUPAC name of methyl N-[2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethyl]carbamate;propane (CID 142287207) is methyl N-[2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethyl]carbamate;propane.
What is the SMILES notation for methyl N-[2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethyl]carbamate;propane?
The canonical SMILES for methyl N-[2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethyl]carbamate;propane is CCC.CNc1nnc(CCNC(=O)OC)o1.
What is the InChIKey of methyl N-[2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethyl]carbamate;propane?
The InChIKey is MJTOEIZZDTZZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3.C3H8/c1-8-6-11-10-5(14-6)3-4-9-7(12)13-2;1-3-2/h3-4H2,1-2H3,(H,8,11)(H,9,12);3H2,1-2H3.
What are the key properties of methyl N-[2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethyl]carbamate;propane?
methyl N-[2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethyl]carbamate;propane has a molecular weight of 244.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[5-(methylamino)-1,3,4-oxadiazol-2-yl]ethyl]carbamate;propane is sourced from PubChem (CID 142287207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).