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

C6H10N4O2 — CID 62483333

IUPAC1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
SMILESCc1cc(C/N=C(\N)NO)on1
InChIInChI=1S/C6H10N4O2/c1-4-2-5(12-10-4)3-8-6(7)9-11/h2,11H,3H2,1H3,(H3,7,8,9)
InChIKeyYBTHEXSWRTZMBK-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.22
Rot. Bonds2

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

1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine (PubChem CID 62483333) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
PubChem CID62483333
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
SMILESCc1cc(C/N=C(\N)NO)on1
InChIInChI=1S/C6H10N4O2/c1-4-2-5(12-10-4)3-8-6(7)9-11/h2,11H,3H2,1H3,(H3,7,8,9)
InChIKeyYBTHEXSWRTZMBK-UHFFFAOYSA-N
XLogP-0.22
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-cyclohexyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119120615
1-(3-ethylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 119120632
1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119120641
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119120657
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 119140950
1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine
CID 120973821
N'-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanimidamide
CID 77032798
1-amino-3-(1-methoxypropan-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 104885290
1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine
CID 130736483
1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 130969421
1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine
CID 104874351
2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide;hydrochloride
CID 66651040

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine?
The IUPAC name of 1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine (CID 62483333) is 1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine.
What is the SMILES notation for 1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine?
The canonical SMILES for 1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine is Cc1cc(C/N=C(\N)NO)on1.
What is the InChIKey of 1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine?
The InChIKey is YBTHEXSWRTZMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4-2-5(12-10-4)3-8-6(7)9-11/h2,11H,3H2,1H3,(H3,7,8,9).
What are the key properties of 1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine?
1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine has a molecular weight of 170.17 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine is sourced from PubChem (CID 62483333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).