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

C10H17N5O — CID 111091248

IUPAC1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCc1nc(C)no1
InChIInChI=1S/C10H17N5O/c1-7(2)6-13-10(11)12-5-4-9-14-8(3)15-16-9/h1,4-6H2,2-3H3,(H3,11,12,13)
InChIKeyUBBOGNGXNLZPTP-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.40
Rot. Bonds5

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

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine (PubChem CID 111091248) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
PubChem CID111091248
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCc1nc(C)no1
InChIInChI=1S/C10H17N5O/c1-7(2)6-13-10(11)12-5-4-9-14-8(3)15-16-9/h1,4-6H2,2-3H3,(H3,11,12,13)
InChIKeyUBBOGNGXNLZPTP-UHFFFAOYSA-N
XLogP0.40
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.40
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111807283
1-[2-(4-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 110930250
2-amino-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796130
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 103796117
2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propylguanidine
CID 111226917
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106417246
2-(3-methylbutyl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111809441
1-[2-(4-fluorophenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111025566
1-tert-butyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 103646420

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine (CID 111091248) is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NCCc1nc(C)no1.
What is the InChIKey of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is UBBOGNGXNLZPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-7(2)6-13-10(11)12-5-4-9-14-8(3)15-16-9/h1,4-6H2,2-3H3,(H3,11,12,13).
What are the key properties of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 223.28 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 111091248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).