2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-propylguanidine;hydroiodide

C18H29IN4O2 — CID 110058461

IUPAC2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\Cc1c(CC)noc1CC)NCCc1ccco1.I
InChIInChI=1S/C18H28N4O2.HI/c1-4-10-19-18(20-11-9-14-8-7-12-23-14)21-13-15-16(5-2)22-24-17(15)6-3;/h7-8,12H,4-6,9-11,13H2,1-3H3,(H2,19,20,21);1H
InChIKeyMOFKOKLJTLWJHX-UHFFFAOYSA-N
MW460.36 g/mol
LogP3.70
Rot. Bonds9

About 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-propylguanidine;hydroiodide

2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-propylguanidine;hydroiodide (PubChem CID 110058461) has the molecular formula C18H29IN4O2 and a molecular weight of 460.36 g/mol. Its IUPAC name is 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-propylguanidine;hydroiodide
PubChem CID110058461
Molecular FormulaC18H29IN4O2
Molecular Weight460.36 g/mol
Exact Mass460.13
IUPAC Name2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\Cc1c(CC)noc1CC)NCCc1ccco1.I
InChIInChI=1S/C18H28N4O2.HI/c1-4-10-19-18(20-11-9-14-8-7-12-23-14)21-13-15-16(5-2)22-24-17(15)6-3;/h7-8,12H,4-6,9-11,13H2,1-3H3,(H2,19,20,21);1H
InChIKeyMOFKOKLJTLWJHX-UHFFFAOYSA-N
XLogP3.70
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 53.70
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-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110058473
1-butan-2-yl-2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine
CID 110058444
2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 110058456
1-[2-(furan-2-yl)ethyl]-2-[(3-methylphenyl)methyl]-3-propylguanidine
CID 111777402
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)guanidine;hydroiodide
CID 111751497
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine
CID 110051254
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 111354602
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111356313
2-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 110050593
1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide
CID 111765966
2-[(5-ethylthiophen-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 111354073
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111586605

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-propylguanidine;hydroiodide?
The IUPAC name of 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-propylguanidine;hydroiodide (CID 110058461) is 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-propylguanidine;hydroiodide?
The canonical SMILES for 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-propylguanidine;hydroiodide is CCCN/C(=N\Cc1c(CC)noc1CC)NCCc1ccco1.I.
What is the InChIKey of 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-propylguanidine;hydroiodide?
The InChIKey is MOFKOKLJTLWJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.HI/c1-4-10-19-18(20-11-9-14-8-7-12-23-14)21-13-15-16(5-2)22-24-17(15)6-3;/h7-8,12H,4-6,9-11,13H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-propylguanidine;hydroiodide?
2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-propylguanidine;hydroiodide has a molecular weight of 460.36 g/mol, XLogP of 3.70, 9 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-[2-(furan-2-yl)ethyl]-3-propylguanidine;hydroiodide is sourced from PubChem (CID 110058461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).