3-[[[3-[2-(methylamino)ethyl]cyclobutyl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide

C12H21N5O2 — CID 167184666

IUPAC3-[[[3-[2-(methylamino)ethyl]cyclobutyl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCNCCC1CC(CNCc2noc(C(N)=O)n2)C1
InChIInChI=1S/C12H21N5O2/c1-14-3-2-8-4-9(5-8)6-15-7-10-16-12(11(13)18)19-17-10/h8-9,14-15H,2-7H2,1H3,(H2,13,18)
InChIKeyOKTPXWGAYJPQLQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.11
Rot. Bonds8

About 3-[[[3-[2-(methylamino)ethyl]cyclobutyl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide

3-[[[3-[2-(methylamino)ethyl]cyclobutyl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 167184666) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[[[3-[2-(methylamino)ethyl]cyclobutyl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[[3-[2-(methylamino)ethyl]cyclobutyl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID167184666
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name3-[[[3-[2-(methylamino)ethyl]cyclobutyl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCNCCC1CC(CNCc2noc(C(N)=O)n2)C1
InChIInChI=1S/C12H21N5O2/c1-14-3-2-8-4-9(5-8)6-15-7-10-16-12(11(13)18)19-17-10/h8-9,14-15H,2-7H2,1H3,(H2,13,18)
InChIKeyOKTPXWGAYJPQLQ-UHFFFAOYSA-N
XLogP-0.11
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[[3-[2-(methylamino)ethyl]cyclobutyl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[[3-[2-(methylamino)ethyl]cyclobutyl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 167184666) is 3-[[[3-[2-(methylamino)ethyl]cyclobutyl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[[3-[2-(methylamino)ethyl]cyclobutyl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[[3-[2-(methylamino)ethyl]cyclobutyl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide is CNCCC1CC(CNCc2noc(C(N)=O)n2)C1.
What is the InChIKey of 3-[[[3-[2-(methylamino)ethyl]cyclobutyl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is OKTPXWGAYJPQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-14-3-2-8-4-9(5-8)6-15-7-10-16-12(11(13)18)19-17-10/h8-9,14-15H,2-7H2,1H3,(H2,13,18).
What are the key properties of 3-[[[3-[2-(methylamino)ethyl]cyclobutyl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[[3-[2-(methylamino)ethyl]cyclobutyl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-[2-(methylamino)ethyl]cyclobutyl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 167184666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).