2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide

C19H22IN5O — CID 110935533

IUPAC2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide
SMILESCCc1noc(-c2ccc(CC/N=C(\N)Nc3ccccc3)cc2)n1.I
InChIInChI=1S/C19H21N5O.HI/c1-2-17-23-18(25-24-17)15-10-8-14(9-11-15)12-13-21-19(20)22-16-6-4-3-5-7-16;/h3-11H,2,12-13H2,1H3,(H3,20,21,22);1H
InChIKeyQOLRPJACFXHXLH-UHFFFAOYSA-N
MW463.32 g/mol
LogP3.89
Rot. Bonds6

About 2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide

2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide (PubChem CID 110935533) has the molecular formula C19H22IN5O and a molecular weight of 463.32 g/mol. Its IUPAC name is 2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide
PubChem CID110935533
Molecular FormulaC19H22IN5O
Molecular Weight463.32 g/mol
Exact Mass463.09
IUPAC Name2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide
SMILESCCc1noc(-c2ccc(CC/N=C(\N)Nc3ccccc3)cc2)n1.I
InChIInChI=1S/C19H21N5O.HI/c1-2-17-23-18(25-24-17)15-10-8-14(9-11-15)12-13-21-19(20)22-16-6-4-3-5-7-16;/h3-11H,2,12-13H2,1H3,(H3,20,21,22);1H
InChIKeyQOLRPJACFXHXLH-UHFFFAOYSA-N
XLogP3.89
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.32
LogP ≤ 53.89
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-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]guanidine;hydroiodide
CID 110935521
2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]guanidine
CID 110935522
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride
CID 119317584
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide
CID 119317575
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine
CID 103643251
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
2-(2-naphthalen-2-ylethyl)-1-phenylguanidine
CID 110926253
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227458
1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 110924654
(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119317564
3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole
CID 3359504

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide (CID 110935533) is 2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide is CCc1noc(-c2ccc(CC/N=C(\N)Nc3ccccc3)cc2)n1.I.
What is the InChIKey of 2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide?
The InChIKey is QOLRPJACFXHXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O.HI/c1-2-17-23-18(25-24-17)15-10-8-14(9-11-15)12-13-21-19(20)22-16-6-4-3-5-7-16;/h3-11H,2,12-13H2,1H3,(H3,20,21,22);1H.
What are the key properties of 2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide?
2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide has a molecular weight of 463.32 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110935533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).