1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine

C8H14N4O — CID 130969421

IUPAC1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
SMILESC/N=C(\NC)NCc1cc(C)no1
InChIInChI=1S/C8H14N4O/c1-6-4-7(13-12-6)5-11-8(9-2)10-3/h4H,5H2,1-3H3,(H2,9,10,11)
InChIKeyBLRQEFUWXLJXPO-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.28
Rot. Bonds2

About 1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine

1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine (PubChem CID 130969421) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
PubChem CID130969421
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
SMILESC/N=C(\NC)NCc1cc(C)no1
InChIInChI=1S/C8H14N4O/c1-6-4-7(13-12-6)5-11-8(9-2)10-3/h4H,5H2,1-3H3,(H2,9,10,11)
InChIKeyBLRQEFUWXLJXPO-UHFFFAOYSA-N
XLogP0.28
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.28
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'}

Analyze 1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine 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-butan-2-yl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 119115431
1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119114659
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 119140615
1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119141589
2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 95930427
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017228
ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 62189875
2-hydroxyethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 79348723
1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine
CID 131114979

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine?
The IUPAC name of 1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine (CID 130969421) is 1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine?
The canonical SMILES for 1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine is C/N=C(\NC)NCc1cc(C)no1.
What is the InChIKey of 1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine?
The InChIKey is BLRQEFUWXLJXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6-4-7(13-12-6)5-11-8(9-2)10-3/h4H,5H2,1-3H3,(H2,9,10,11).
What are the key properties of 1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine?
1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine has a molecular weight of 182.23 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine is sourced from PubChem (CID 130969421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).