1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine

C13H22N4O — CID 119147204

IUPAC1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine
SMILESCc1noc(C)c1CC/N=C(\N)NC1CCCC1
InChIInChI=1S/C13H22N4O/c1-9-12(10(2)18-17-9)7-8-15-13(14)16-11-5-3-4-6-11/h11H,3-8H2,1-2H3,(H3,14,15,16)
InChIKeySBHPQZBONSLZRY-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.68
Rot. Bonds4

About 1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine

1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine (PubChem CID 119147204) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine
PubChem CID119147204
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine
SMILESCc1noc(C)c1CC/N=C(\N)NC1CCCC1
InChIInChI=1S/C13H22N4O/c1-9-12(10(2)18-17-9)7-8-15-13(14)16-11-5-3-4-6-11/h11H,3-8H2,1-2H3,(H3,14,15,16)
InChIKeySBHPQZBONSLZRY-UHFFFAOYSA-N
XLogP1.68
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine
CID 111975463
1-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine;hydroiodide
CID 111975072
1-cyclohexyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 78931877
1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 119120532
1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine
CID 122096350
1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111068795
1-cyclopentyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 103743959
1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine
CID 120973821
1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111807297
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine
CID 119147208
1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 119147857
1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 78989923

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine (CID 119147204) is 1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine is Cc1noc(C)c1CC/N=C(\N)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine?
The InChIKey is SBHPQZBONSLZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-12(10(2)18-17-9)7-8-15-13(14)16-11-5-3-4-6-11/h11H,3-8H2,1-2H3,(H3,14,15,16).
What are the key properties of 1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine?
1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine has a molecular weight of 250.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 119147204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).