2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide

C19H35IN4O2 — CID 109428612

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide
SMILESCCCOC1(CN/C(=N/Cc2nc(C)c(C)o2)NCC)CCCCC1.I
InChIInChI=1S/C19H34N4O2.HI/c1-5-12-24-19(10-8-7-9-11-19)14-22-18(20-6-2)21-13-17-23-15(3)16(4)25-17;/h5-14H2,1-4H3,(H2,20,21,22);1H
InChIKeyWMPZAQBBUFIQTO-UHFFFAOYSA-N
MW478.42 g/mol
LogP4.09
Rot. Bonds8

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide (PubChem CID 109428612) has the molecular formula C19H35IN4O2 and a molecular weight of 478.42 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide
PubChem CID109428612
Molecular FormulaC19H35IN4O2
Molecular Weight478.42 g/mol
Exact Mass478.18
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide
SMILESCCCOC1(CN/C(=N/Cc2nc(C)c(C)o2)NCC)CCCCC1.I
InChIInChI=1S/C19H34N4O2.HI/c1-5-12-24-19(10-8-7-9-11-19)14-22-18(20-6-2)21-13-17-23-15(3)16(4)25-17;/h5-14H2,1-4H3,(H2,20,21,22);1H
InChIKeyWMPZAQBBUFIQTO-UHFFFAOYSA-N
XLogP4.09
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 54.09
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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine
CID 109428613
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine
CID 109432511
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-ethylcyclopentyl)methyl]guanidine;hydroiodide
CID 109430348
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide
CID 109430128
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(2-hydroxy-1-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 109431434
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-phenylsulfanylcyclopentyl)methyl]guanidine;hydroiodide
CID 109430944
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]guanidine
CID 109430921
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(4-methylsulfanyloxan-4-yl)methyl]guanidine
CID 111690088
1-(2-cyclohexylethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 111953360
1-[2-(azepan-1-yl)ethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109430029
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(3-octoxypropyl)guanidine;hydroiodide
CID 109430016
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
CID 111607315

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide (CID 109428612) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide is CCCOC1(CN/C(=N/Cc2nc(C)c(C)o2)NCC)CCCCC1.I.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide?
The InChIKey is WMPZAQBBUFIQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2.HI/c1-5-12-24-19(10-8-7-9-11-19)14-22-18(20-6-2)21-13-17-23-15(3)16(4)25-17;/h5-14H2,1-4H3,(H2,20,21,22);1H.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide has a molecular weight of 478.42 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 109428612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).