1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide

C10H17IN4O — CID 119114659

IUPAC1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCc1cc(C)no1)NC1CC1.I
InChIInChI=1S/C10H16N4O.HI/c1-7-5-9(15-14-7)6-12-10(11-2)13-8-3-4-8;/h5,8H,3-4,6H2,1-2H3,(H2,11,12,13);1H
InChIKeyHRBKHDLKMYHIAV-UHFFFAOYSA-N
MW336.18 g/mol
LogP1.43
Rot. Bonds3

About 1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide

1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide (PubChem CID 119114659) has the molecular formula C10H17IN4O and a molecular weight of 336.18 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
PubChem CID119114659
Molecular FormulaC10H17IN4O
Molecular Weight336.18 g/mol
Exact Mass336.04
IUPAC Name1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCc1cc(C)no1)NC1CC1.I
InChIInChI=1S/C10H16N4O.HI/c1-7-5-9(15-14-7)6-12-10(11-2)13-8-3-4-8;/h5,8H,3-4,6H2,1-2H3,(H2,11,12,13);1H
InChIKeyHRBKHDLKMYHIAV-UHFFFAOYSA-N
XLogP1.43
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 130969421
2-methyl-1-(4-methylcyclohexyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111513535
2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 119149886
1-cyclohexyl-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111493182
1-butan-2-yl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 119115431
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
CID 60712181
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111780239
ethyl 4-[[N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111785074
1-cyclopropyl-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]guanidine
CID 120973821
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119141589
1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 119114480

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide (CID 119114659) is 1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide is C/N=C(\NCc1cc(C)no1)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide?
The InChIKey is HRBKHDLKMYHIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.HI/c1-7-5-9(15-14-7)6-12-10(11-2)13-8-3-4-8;/h5,8H,3-4,6H2,1-2H3,(H2,11,12,13);1H.
What are the key properties of 1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide?
1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide has a molecular weight of 336.18 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119114659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).