N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide

C12H20N4O — CID 106423305

IUPACN'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide
SMILESCc1nc(CC/N=C(\N)C2CCCCC2)no1
InChIInChI=1S/C12H20N4O/c1-9-15-11(16-17-9)7-8-14-12(13)10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H2,13,14)
InChIKeyUCODMVYBWGPAOA-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.86
Rot. Bonds4

About N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide

N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide (PubChem CID 106423305) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide
PubChem CID106423305
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide
SMILESCc1nc(CC/N=C(\N)C2CCCCC2)no1
InChIInChI=1S/C12H20N4O/c1-9-15-11(16-17-9)7-8-14-12(13)10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H2,13,14)
InChIKeyUCODMVYBWGPAOA-UHFFFAOYSA-N
XLogP1.86
TPSA77.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 106419327
1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 119147857
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
CID 103698868
N'-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentanecarboximidamide
CID 63176793
5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 172900478
2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 106413713
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637274
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931523
N'-(2-methylsulfanylethyl)cyclopentanecarboximidamide
CID 63962967
N'-(2-piperidin-1-ylethyl)cyclohexanecarboximidamide
CID 63176513
2,6-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931580
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine
CID 104892127

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide?
The IUPAC name of N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide (CID 106423305) is N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide.
What is the SMILES notation for N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide?
The canonical SMILES for N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide is Cc1nc(CC/N=C(\N)C2CCCCC2)no1.
What is the InChIKey of N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide?
The InChIKey is UCODMVYBWGPAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-15-11(16-17-9)7-8-14-12(13)10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H2,13,14).
What are the key properties of N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide?
N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide has a molecular weight of 236.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide is sourced from PubChem (CID 106423305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).