1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide

C11H21IN4O — CID 120973828

IUPAC1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide
SMILESCc1cc(CCN=C(N(C)C)N(C)C)on1.I
InChIInChI=1S/C11H20N4O.HI/c1-9-8-10(16-13-9)6-7-12-11(14(2)3)15(4)5;/h8H,6-7H2,1-5H3;1H
InChIKeyLKTQSGCDWUZNRD-UHFFFAOYSA-N
MW352.22 g/mol
LogP1.62
Rot. Bonds3

About 1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide

1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide (PubChem CID 120973828) has the molecular formula C11H21IN4O and a molecular weight of 352.22 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide
PubChem CID120973828
Molecular FormulaC11H21IN4O
Molecular Weight352.22 g/mol
Exact Mass352.08
IUPAC Name1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide
SMILESCc1cc(CCN=C(N(C)C)N(C)C)on1.I
InChIInChI=1S/C11H20N4O.HI/c1-9-8-10(16-13-9)6-7-12-11(14(2)3)15(4)5;/h8H,6-7H2,1-5H3;1H
InChIKeyLKTQSGCDWUZNRD-UHFFFAOYSA-N
XLogP1.62
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine
CID 120973821
7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol
CID 19894069
5-heptyl-3-methyl-1,2-oxazole
CID 57223532
1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
CID 111097891
2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111813791
N-methyl-3-(3-methyl-1,2-oxazol-5-yl)propan-1-amine
CID 177319850
2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide
CID 90537585
2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 120973807
trimethylsilyl 3-(3-methyl-1,2-oxazol-5-yl)propanoate
CID 71327836
1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 62483333
4-(dimethylamino)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537724
1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 130969421

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide (CID 120973828) is 1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide is Cc1cc(CCN=C(N(C)C)N(C)C)on1.I.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide?
The InChIKey is LKTQSGCDWUZNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O.HI/c1-9-8-10(16-13-9)6-7-12-11(14(2)3)15(4)5;/h8H,6-7H2,1-5H3;1H.
What are the key properties of 1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide?
1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide has a molecular weight of 352.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 120973828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).