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

C7H12N4O — CID 78989893

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
SMILESCc1noc(C)c1CN=C(N)N
InChIInChI=1S/C7H12N4O/c1-4-6(3-10-7(8)9)5(2)12-11-4/h3H2,1-2H3,(H4,8,9,10)
InChIKeyYKRDHACMHKZXMI-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.06
Rot. Bonds2

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine (PubChem CID 78989893) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
PubChem CID78989893
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
SMILESCc1noc(C)c1CN=C(N)N
InChIInChI=1S/C7H12N4O/c1-4-6(3-10-7(8)9)5(2)12-11-4/h3H2,1-2H3,(H4,8,9,10)
InChIKeyYKRDHACMHKZXMI-UHFFFAOYSA-N
XLogP0.06
TPSA90.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.06
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'}

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 119120494
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine
CID 78989909
1-cyclohexyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 78931877
1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 119120532
1-(cyclobutylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 119120511
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 119120488
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119120527
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-ethyl-3-(3-methylbutan-2-yl)guanidine
CID 119116766
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-methoxyphenyl)guanidine
CID 119120487
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119120524
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 119955496

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine (CID 78989893) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine is Cc1noc(C)c1CN=C(N)N.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine?
The InChIKey is YKRDHACMHKZXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4-6(3-10-7(8)9)5(2)12-11-4/h3H2,1-2H3,(H4,8,9,10).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine has a molecular weight of 168.20 g/mol, XLogP of 0.06, 2 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]guanidine is sourced from PubChem (CID 78989893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).