2-(2-methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine

C9H17N5O — CID 103743964

IUPAC2-(2-methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
SMILESCC(C)C/N=C(\N)NCCc1ncno1
InChIInChI=1S/C9H17N5O/c1-7(2)5-12-9(10)11-4-3-8-13-6-14-15-8/h6-7H,3-5H2,1-2H3,(H3,10,11,12)
InChIKeyZNPQPXCUSLGDDY-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.17
Rot. Bonds5

About 2-(2-methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine

2-(2-methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine (PubChem CID 103743964) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
PubChem CID103743964
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2-(2-methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
SMILESCC(C)C/N=C(\N)NCCc1ncno1
InChIInChI=1S/C9H17N5O/c1-7(2)5-12-9(10)11-4-3-8-13-6-14-15-8/h6-7H,3-5H2,1-2H3,(H3,10,11,12)
InChIKeyZNPQPXCUSLGDDY-UHFFFAOYSA-N
XLogP0.17
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
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

5-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidine
CID 9815409
5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahydro-pyrimidine; TFA
CID 9838581
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
5-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidine hydrochloride
CID 44472513
5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione
CID 91248085
3-Propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10104084
3-Propan-2-yl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10750333
3-(2-Methylpropyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10822261
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 103744177
1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 106394517
N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399628

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The IUPAC name of 2-(2-methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine (CID 103743964) is 2-(2-methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 2-(2-methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The canonical SMILES for 2-(2-methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine is CC(C)C/N=C(\N)NCCc1ncno1.
What is the InChIKey of 2-(2-methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The InChIKey is ZNPQPXCUSLGDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-7(2)5-12-9(10)11-4-3-8-13-6-14-15-8/h6-7H,3-5H2,1-2H3,(H3,10,11,12).
What are the key properties of 2-(2-methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
2-(2-methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine has a molecular weight of 211.27 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 103743964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).