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

C7H13N5O — CID 106373236

IUPAC1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine
SMILESCc1nc(C/N=C(\N)NN)oc1C
InChIInChI=1S/C7H13N5O/c1-4-5(2)13-6(11-4)3-10-7(8)12-9/h3,9H2,1-2H3,(H3,8,10,12)
InChIKeyWMNPGZSQVOCVPI-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.43
Rot. Bonds2

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

1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine (PubChem CID 106373236) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine
PubChem CID106373236
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine
SMILESCc1nc(C/N=C(\N)NN)oc1C
InChIInChI=1S/C7H13N5O/c1-4-5(2)13-6(11-4)3-10-7(8)12-9/h3,9H2,1-2H3,(H3,8,10,12)
InChIKeyWMNPGZSQVOCVPI-UHFFFAOYSA-N
XLogP-0.43
TPSA102.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.43
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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-phenylethyl)guanidine
CID 111078878
1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methoxyethyl)guanidine
CID 114181159
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110918021
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111078858
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine
CID 111599488
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721400
1-(2,5-diethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine
CID 111078945
3-[[N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylcarbamimidoyl]amino]-2,2-dimethylpropanamide
CID 109429881
N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111078920
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine
CID 109432511
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109431910

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine?
The IUPAC name of 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine (CID 106373236) is 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine?
The canonical SMILES for 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine is Cc1nc(C/N=C(\N)NN)oc1C.
What is the InChIKey of 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine?
The InChIKey is WMNPGZSQVOCVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-4-5(2)13-6(11-4)3-10-7(8)12-9/h3,9H2,1-2H3,(H3,8,10,12).
What are the key properties of 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine?
1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine has a molecular weight of 183.21 g/mol, XLogP of -0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]guanidine is sourced from PubChem (CID 106373236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).