2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine

C13H16N4O — CID 78989909

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine
SMILESCc1noc(C)c1C/N=C(\N)Nc1ccccc1
InChIInChI=1S/C13H16N4O/c1-9-12(10(2)18-17-9)8-15-13(14)16-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H3,14,15,16)
InChIKeyGBURFDGBEIMCEB-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.22
Rot. Bonds3

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine (PubChem CID 78989909) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine
PubChem CID78989909
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine
SMILESCc1noc(C)c1C/N=C(\N)Nc1ccccc1
InChIInChI=1S/C13H16N4O/c1-9-12(10(2)18-17-9)8-15-13(14)16-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H3,14,15,16)
InChIKeyGBURFDGBEIMCEB-UHFFFAOYSA-N
XLogP2.22
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.22
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 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine 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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 119120488
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-methoxyphenyl)guanidine
CID 119120487
1-(3,4-dimethoxyphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 119120502
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 119955496
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111806687
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 119142365
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 78989893
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 119120494
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylthiourea
CID 47950220
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111806731
2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-phenylguanidine
CID 110914092
2-benzyl-1-phenylguanidine
CID 12910062

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine (CID 78989909) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine is Cc1noc(C)c1C/N=C(\N)Nc1ccccc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine?
The InChIKey is GBURFDGBEIMCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-12(10(2)18-17-9)8-15-13(14)16-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H3,14,15,16).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine has a molecular weight of 244.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine is sourced from PubChem (CID 78989909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).