2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide

C14H20IN5O — CID 119159391

IUPAC2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCCc1noc(CC)c1C/N=C(\N)Nc1ccccn1.I
InChIInChI=1S/C14H19N5O.HI/c1-3-11-10(12(4-2)20-19-11)9-17-14(15)18-13-7-5-6-8-16-13;/h5-8H,3-4,9H2,1-2H3,(H3,15,16,17,18);1H
InChIKeyOPKXOJKKLRXRCO-UHFFFAOYSA-N
MW401.25 g/mol
LogP2.74
Rot. Bonds5

About 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide

2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide (PubChem CID 119159391) has the molecular formula C14H20IN5O and a molecular weight of 401.25 g/mol. Its IUPAC name is 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
PubChem CID119159391
Molecular FormulaC14H20IN5O
Molecular Weight401.25 g/mol
Exact Mass401.07
IUPAC Name2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCCc1noc(CC)c1C/N=C(\N)Nc1ccccn1.I
InChIInChI=1S/C14H19N5O.HI/c1-3-11-10(12(4-2)20-19-11)9-17-14(15)18-13-7-5-6-8-16-13;/h5-8H,3-4,9H2,1-2H3,(H3,15,16,17,18);1H
InChIKeyOPKXOJKKLRXRCO-UHFFFAOYSA-N
XLogP2.74
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 52.74
H-Bond Donors ≤ 52
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119147213
3-[[amino-(pyridin-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 119119560
2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605860
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119120696
1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
CID 119118280
2-[(1-hydroxycyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119146788
2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119117281
1-tert-butyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine
CID 122096348
2-(2-morpholin-4-ylethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119117134
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine
CID 78989909
1-(N'-propylcarbamimidoyl)-3-pyridin-2-ylurea
CID 70506884
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119227

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide (CID 119159391) is 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide is CCc1noc(CC)c1C/N=C(\N)Nc1ccccn1.I.
What is the InChIKey of 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The InChIKey is OPKXOJKKLRXRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.HI/c1-3-11-10(12(4-2)20-19-11)9-17-14(15)18-13-7-5-6-8-16-13;/h5-8H,3-4,9H2,1-2H3,(H3,15,16,17,18);1H.
What are the key properties of 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide has a molecular weight of 401.25 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide is sourced from PubChem (CID 119159391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).