1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine

C6H11N5O — CID 116510992

IUPAC1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine
SMILESC/N=C(\NN)NCc1ccon1
InChIInChI=1S/C6H11N5O/c1-8-6(10-7)9-4-5-2-3-12-11-5/h2-3H,4,7H2,1H3,(H2,8,9,10)
InChIKeyRQOJVMDQOHAACA-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.79
Rot. Bonds2

About 1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine

1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine (PubChem CID 116510992) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine
PubChem CID116510992
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine
SMILESC/N=C(\NN)NCc1ccon1
InChIInChI=1S/C6H11N5O/c1-8-6(10-7)9-4-5-2-3-12-11-5/h2-3H,4,7H2,1H3,(H2,8,9,10)
InChIKeyRQOJVMDQOHAACA-UHFFFAOYSA-N
XLogP-0.79
TPSA88.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 111963898
2-methyl-1-[(4-methylphenyl)methyl]-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 111964580
2-methyl-1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 111965024
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 111964344
1-amino-2-methyl-3-(1,3-oxazol-4-ylmethyl)guanidine
CID 130900384
2-methyl-1-(1,2-oxazol-3-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111965358
2-methyl-1-(1,2-oxazol-3-ylmethyl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111965306
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 111964524
2-methyl-1-(1,2-oxazol-3-ylmethyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 75425227
1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine
CID 116510819
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 111965280

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine (CID 116510992) is 1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine is C/N=C(\NN)NCc1ccon1.
What is the InChIKey of 1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine?
The InChIKey is RQOJVMDQOHAACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-8-6(10-7)9-4-5-2-3-12-11-5/h2-3H,4,7H2,1H3,(H2,8,9,10).
What are the key properties of 1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine?
1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine has a molecular weight of 169.19 g/mol, XLogP of -0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine is sourced from PubChem (CID 116510992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).