1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine

C10H19N5O — CID 103646420

IUPAC1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
SMILESCc1noc(CC/N=C(\N)NC(C)(C)C)n1
InChIInChI=1S/C10H19N5O/c1-7-13-8(16-15-7)5-6-12-9(11)14-10(2,3)4/h5-6H2,1-4H3,(H3,11,12,14)
InChIKeyDYYHMLJEYAAJIH-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.62
Rot. Bonds3

About 1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine

1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine (PubChem CID 103646420) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
PubChem CID103646420
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
SMILESCc1noc(CC/N=C(\N)NC(C)(C)C)n1
InChIInChI=1S/C10H19N5O/c1-7-13-8(16-15-7)5-6-12-9(11)14-10(2,3)4/h5-6H2,1-4H3,(H3,11,12,14)
InChIKeyDYYHMLJEYAAJIH-UHFFFAOYSA-N
XLogP0.62
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.62
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

2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine
CID 103643251
1-(4-ethylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111091208
1-tert-butyl-2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]guanidine
CID 111809572
1-tert-butyl-2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]guanidine
CID 111813808
1-(4-butan-2-ylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111091178
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111091225
1-[2-(4-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 110930250
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-octylguanidine;hydroiodide
CID 111091189
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111091206
1-tert-butyl-2-[2-(5-methylpyrazin-2-yl)ethyl]guanidine
CID 122098438
1-amino-3-cyclopentyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 106424851
4-methyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110930254

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine (CID 103646420) is 1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine is Cc1noc(CC/N=C(\N)NC(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The InChIKey is DYYHMLJEYAAJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-7-13-8(16-15-7)5-6-12-9(11)14-10(2,3)4/h5-6H2,1-4H3,(H3,11,12,14).
What are the key properties of 1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine?
1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine has a molecular weight of 225.30 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 103646420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).