1-amino-2-methyl-3-(1,3-oxazol-4-ylmethyl)guanidine

C6H11N5O — CID 130900384

IUPAC1-amino-2-methyl-3-(1,3-oxazol-4-ylmethyl)guanidine
SMILESC/N=C(\NN)NCc1cocn1
InChIInChI=1S/C6H11N5O/c1-8-6(11-7)9-2-5-3-12-4-10-5/h3-4H,2,7H2,1H3,(H2,8,9,11)
InChIKeyOEPJJHXNFGDJCX-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.79
Rot. Bonds2

About 1-amino-2-methyl-3-(1,3-oxazol-4-ylmethyl)guanidine

1-amino-2-methyl-3-(1,3-oxazol-4-ylmethyl)guanidine (PubChem CID 130900384) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(1,3-oxazol-4-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(1,3-oxazol-4-ylmethyl)guanidine
PubChem CID130900384
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name1-amino-2-methyl-3-(1,3-oxazol-4-ylmethyl)guanidine
SMILESC/N=C(\NN)NCc1cocn1
InChIInChI=1S/C6H11N5O/c1-8-6(11-7)9-2-5-3-12-4-10-5/h3-4H,2,7H2,1H3,(H2,8,9,11)
InChIKeyOEPJJHXNFGDJCX-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-amino-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine
CID 116510992
1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 116510700
1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine
CID 116510819
1-tert-butyl-3-(1,3-oxazol-4-ylmethyl)urea
CID 110747872
1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine
CID 116510984
4-methoxy-N-(1,3-oxazol-4-ylmethyl)benzamide
CID 110718902
5-bromo-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine
CID 130651928
1-amino-2-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 104882301
1-amino-2-methyl-3-(2-pyridin-4-ylethyl)guanidine
CID 116510792
2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine
CID 130791804
2-(1,3-oxazol-4-yl)-N-propylacetamide
CID 110686223
2-(3-fluorophenyl)-N-(1,3-oxazol-4-ylmethyl)acetamide
CID 110718968

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(1,3-oxazol-4-ylmethyl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(1,3-oxazol-4-ylmethyl)guanidine (CID 130900384) is 1-amino-2-methyl-3-(1,3-oxazol-4-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(1,3-oxazol-4-ylmethyl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(1,3-oxazol-4-ylmethyl)guanidine is C/N=C(\NN)NCc1cocn1.
What is the InChIKey of 1-amino-2-methyl-3-(1,3-oxazol-4-ylmethyl)guanidine?
The InChIKey is OEPJJHXNFGDJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-8-6(11-7)9-2-5-3-12-4-10-5/h3-4H,2,7H2,1H3,(H2,8,9,11).
What are the key properties of 1-amino-2-methyl-3-(1,3-oxazol-4-ylmethyl)guanidine?
1-amino-2-methyl-3-(1,3-oxazol-4-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-(1,3-oxazol-4-ylmethyl)guanidine is sourced from PubChem (CID 130900384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).