1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide

C19H27IN4O — CID 111980986

IUPAC1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N/Cc1coc(-c2ccccc2)n1)NCC.I
InChIInChI=1S/C19H26N4O.HI/c1-3-8-15-11-17(15)23-19(20-4-2)21-12-16-13-24-18(22-16)14-9-6-5-7-10-14;/h5-7,9-10,13,15,17H,3-4,8,11-12H2,1-2H3,(H2,20,21,23);1H
InChIKeyFIFSUVDJPQUTPW-UHFFFAOYSA-N
MW454.36 g/mol
LogP4.20
Rot. Bonds7

About 1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide

1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide (PubChem CID 111980986) has the molecular formula C19H27IN4O and a molecular weight of 454.36 g/mol. Its IUPAC name is 1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide
PubChem CID111980986
Molecular FormulaC19H27IN4O
Molecular Weight454.36 g/mol
Exact Mass454.12
IUPAC Name1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N/Cc1coc(-c2ccccc2)n1)NCC.I
InChIInChI=1S/C19H26N4O.HI/c1-3-8-15-11-17(15)23-19(20-4-2)21-12-16-13-24-18(22-16)14-9-6-5-7-10-14;/h5-7,9-10,13,15,17H,3-4,8,11-12H2,1-2H3,(H2,20,21,23);1H
InChIKeyFIFSUVDJPQUTPW-UHFFFAOYSA-N
XLogP4.20
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.36
LogP ≤ 54.20
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-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111547404
1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111780280
1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111981266
N-cyclohexyl-3-[[N-ethyl-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111553978
1-[2-(diethylamino)ethyl]-3-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111554026
1-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 119152358
1-[2-[butyl(methyl)amino]ethyl]-3-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111981140
1-(2-ethoxyethyl)-3-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111553975
1-(3-butoxypropyl)-3-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552941
1-(3-anilinopropyl)-3-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111553807
1-ethyl-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111591776
1-ethyl-3-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111553984

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide (CID 111980986) is 1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide is CCCC1CC1N/C(=N/Cc1coc(-c2ccccc2)n1)NCC.I.
What is the InChIKey of 1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The InChIKey is FIFSUVDJPQUTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.HI/c1-3-8-15-11-17(15)23-19(20-4-2)21-12-16-13-24-18(22-16)14-9-6-5-7-10-14;/h5-7,9-10,13,15,17H,3-4,8,11-12H2,1-2H3,(H2,20,21,23);1H.
What are the key properties of 1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide?
1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide has a molecular weight of 454.36 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 111980986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).