2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

C19H27N5O — CID 111721421

IUPAC2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESCC(C)c1noc(CCC/N=C(\N)Nc2cccc3c2CCCC3)n1
InChIInChI=1S/C19H27N5O/c1-13(2)18-23-17(25-24-18)11-6-12-21-19(20)22-16-10-5-8-14-7-3-4-9-15(14)16/h5,8,10,13H,3-4,6-7,9,11-12H2,1-2H3,(H3,20,21,22)
InChIKeyABNVEKVJBZKUIS-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.43
Rot. Bonds6

About 2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (PubChem CID 111721421) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
PubChem CID111721421
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESCC(C)c1noc(CCC/N=C(\N)Nc2cccc3c2CCCC3)n1
InChIInChI=1S/C19H27N5O/c1-13(2)18-23-17(25-24-18)11-6-12-21-19(20)22-16-10-5-8-14-7-3-4-9-15(14)16/h5,8,10,13H,3-4,6-7,9,11-12H2,1-2H3,(H3,20,21,22)
InChIKeyABNVEKVJBZKUIS-UHFFFAOYSA-N
XLogP3.43
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111809422
1-(2-methoxyphenyl)-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine;hydroiodide
CID 111080230
2-[3-(2-methylpropoxy)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720784
2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 120973807
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111806657
2-[3-(dimethylamino)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720610
2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
2-[2-(6-methyl-2-pyridinyl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 120662500
1-(4-butan-2-ylphenyl)-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111080237
2-(5-methoxypentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721526
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721247
2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721559

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The IUPAC name of 2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (CID 111721421) is 2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.
What is the SMILES notation for 2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The canonical SMILES for 2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is CC(C)c1noc(CCC/N=C(\N)Nc2cccc3c2CCCC3)n1.
What is the InChIKey of 2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The InChIKey is ABNVEKVJBZKUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-13(2)18-23-17(25-24-18)11-6-12-21-19(20)22-16-10-5-8-14-7-3-4-9-15(14)16/h5,8,10,13H,3-4,6-7,9,11-12H2,1-2H3,(H3,20,21,22).
What are the key properties of 2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine has a molecular weight of 341.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is sourced from PubChem (CID 111721421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).