2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine;hydroiodide

C19H36IN5O2 — CID 111592754

IUPAC2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1ncc(C(C)(C)C)o1)NCCN(CCOC)C1CC1.I
InChIInChI=1S/C19H35N5O2.HI/c1-6-20-18(21-9-10-24(11-12-25-5)15-7-8-15)23-14-17-22-13-16(26-17)19(2,3)4;/h13,15H,6-12,14H2,1-5H3,(H2,20,21,23);1H
InChIKeyDIAIOHWRFJHFQY-UHFFFAOYSA-N
MW493.43 g/mol
LogP2.76
Rot. Bonds10

About 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine;hydroiodide

2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine;hydroiodide (PubChem CID 111592754) has the molecular formula C19H36IN5O2 and a molecular weight of 493.43 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine;hydroiodide
PubChem CID111592754
Molecular FormulaC19H36IN5O2
Molecular Weight493.43 g/mol
Exact Mass493.19
IUPAC Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1ncc(C(C)(C)C)o1)NCCN(CCOC)C1CC1.I
InChIInChI=1S/C19H35N5O2.HI/c1-6-20-18(21-9-10-24(11-12-25-5)15-7-8-15)23-14-17-22-13-16(26-17)19(2,3)4;/h13,15H,6-12,14H2,1-5H3,(H2,20,21,23);1H
InChIKeyDIAIOHWRFJHFQY-UHFFFAOYSA-N
XLogP2.76
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111593778
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111954692
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111592506
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[3-(dimethylamino)propyl]-3-ethylguanidine
CID 111595522
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-[(3-fluoro-4-methylphenyl)methyl]guanidine;hydroiodide
CID 111847178
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111394556
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111851951
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(3-methylbutoxy)ethyl]guanidine
CID 111593794
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111593792
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[3-(4-methylphenoxy)propyl]guanidine
CID 111595840
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111343364
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-ethylguanidine;hydroiodide
CID 111593076

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine;hydroiodide?
The IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine;hydroiodide (CID 111592754) is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine;hydroiodide?
The canonical SMILES for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine;hydroiodide is CCN/C(=N\Cc1ncc(C(C)(C)C)o1)NCCN(CCOC)C1CC1.I.
What is the InChIKey of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine;hydroiodide?
The InChIKey is DIAIOHWRFJHFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O2.HI/c1-6-20-18(21-9-10-24(11-12-25-5)15-7-8-15)23-14-17-22-13-16(26-17)19(2,3)4;/h13,15H,6-12,14H2,1-5H3,(H2,20,21,23);1H.
What are the key properties of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine;hydroiodide?
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine;hydroiodide has a molecular weight of 493.43 g/mol, XLogP of 2.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111592754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).