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

C10H17N5O — CID 103743959

IUPAC1-cyclopentyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
SMILESN/C(=N\CCc1ncno1)NC1CCCC1
InChIInChI=1S/C10H17N5O/c11-10(15-8-3-1-2-4-8)12-6-5-9-13-7-14-16-9/h7-8H,1-6H2,(H3,11,12,15)
InChIKeyUYMWRUYIIZGVQA-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.46
Rot. Bonds4

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

1-cyclopentyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine (PubChem CID 103743959) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
PubChem CID103743959
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-cyclopentyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
SMILESN/C(=N\CCc1ncno1)NC1CCCC1
InChIInChI=1S/C10H17N5O/c11-10(15-8-3-1-2-4-8)12-6-5-9-13-7-14-16-9/h7-8H,1-6H2,(H3,11,12,15)
InChIKeyUYMWRUYIIZGVQA-UHFFFAOYSA-N
XLogP0.46
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.46
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

1-hydroxy-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 106409475
1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine
CID 119147204
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-cyclohexyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea
CID 106395713
1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
CID 62615976
1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine
CID 62368222
1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 78989923
1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide
CID 119147599
1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine
CID 111975463
1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine
CID 62364271
1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine
CID 120973821
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine (CID 103743959) is 1-cyclopentyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine is N/C(=N\CCc1ncno1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The InChIKey is UYMWRUYIIZGVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-10(15-8-3-1-2-4-8)12-6-5-9-13-7-14-16-9/h7-8H,1-6H2,(H3,11,12,15).
What are the key properties of 1-cyclopentyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine?
1-cyclopentyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine has a molecular weight of 223.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 103743959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).